
     RDKit          3D

114116  0  0  0  0  0  0  0  0999 V2000
    8.5654   -2.6550    0.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1325   -2.2759    1.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4335   -1.3236    0.2354 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0360   -1.3491    0.5412 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0528   -1.8843   -0.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3429   -2.7913   -1.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6904   -1.2466   -0.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9791   -1.1191    1.0359 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9392   -1.0006    2.0599 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0296    0.1201    1.0800 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5249    0.3607    2.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1624    0.0059    0.0619 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0727   -0.9662    0.5635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1630   -2.1234   -0.2433 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0197   -1.8495   -1.3442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5285   -2.9943   -2.0303 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0518   -3.0095   -1.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8845   -4.3790   -1.6816 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6741   -4.4718   -2.3902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5955   -4.5774   -0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3435   -5.6885    0.5037 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8138   -5.6155    0.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8575   -7.0109    0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7177   -3.2602    0.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9736   -3.3425    1.8196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9447    1.3458   -0.2680 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2591    1.4934    0.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1293    2.7006    0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5598    2.4262    0.4065 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4601    3.1918   -0.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4436    4.7064   -0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6660    5.3999   -0.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3162    5.0048    1.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6751    3.8132    2.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1949    3.6094    2.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9328    2.5099    1.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0768    2.6410   -0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0319    2.6871   -1.3076 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5011    3.2255   -2.6433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1913    3.5425   -0.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9805    4.7318   -0.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5569    2.9973   -0.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375    2.0680   -1.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3079    1.3232   -1.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9171    0.7094   -2.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8159    1.1291   -0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9198    0.1617    0.3186 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2583    0.4317   -0.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8112    2.5060   -0.3855 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.8001   -3.6635    1.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7010   -2.6783   -0.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2916   -1.9571    1.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1232   -1.8465    2.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5414   -3.2191    1.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5972   -1.7152   -0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8253   -0.2468   -0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0479   -1.8190   -1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -2.0449    1.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6440   -1.5764    2.8122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6727    0.9819    0.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0764    1.2838    2.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3696    0.5166    3.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0776   -0.4952    2.8744 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2731   -0.2952   -0.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1631   -2.4299   -0.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3390   -2.8250   -3.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3595   -3.0781   -0.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4705   -2.0648   -2.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4894   -3.8582   -2.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5610   -5.1785   -2.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4520   -5.4379   -2.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5085   -4.8289   -0.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2626   -6.4433    0.9988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1664   -5.7101   -0.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1943   -4.6755    0.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3050   -7.8077    0.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7529   -7.0829    0.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1173   -7.2137   -0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7726   -3.0083    0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -3.8754    2.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2924    1.2423   -1.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0369    1.5550    1.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8780    0.5862    0.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8030    3.6051    0.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9700    2.9003   -0.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4847    2.7788   -0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1824    3.0255   -1.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5493    5.1397   -0.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6049    5.0326   -0.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7030    5.2184   -1.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6036    6.4999   -0.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9230    5.8923    1.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2629    5.2896    1.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3362    4.0750    3.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4153    2.8226    3.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6870    4.5464    2.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6520    3.3016    1.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5544    1.6247    2.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0347    2.4120    2.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3525    2.7605    0.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7060    3.5421   -0.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3902    1.6536   -1.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    4.2576   -2.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3108    2.5716   -3.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198    3.2484   -3.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1804    3.3866    0.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4535    1.8139   -2.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1022   -0.3678   -2.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8603    1.2365   -2.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2456    0.8045   -3.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3149    1.5911    0.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1076    0.3713    1.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830   -0.0782    0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2561    0.0449   -1.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 20 24  1  0
 24 25  1  0
 12 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 26 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  1  0
 44 46  2  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 47  3  1  0
 24 14  1  0
 36 29  1  0
  1 50  1  0
  1 51  1  0
  1 52  1  0
  2 53  1  0
  2 54  1  0
  3 55  1  6
  7 56  1  0
  7 57  1  0
  8 58  1  1
  9 59  1  0
 10 60  1  6
 11 61  1  0
 11 62  1  0
 11 63  1  0
 12 64  1  6
 14 65  1  6
 16 66  1  6
 17 67  1  0
 17 68  1  0
 17 69  1  0
 18 70  1  6
 19 71  1  0
 20 72  1  0
 22 73  1  0
 22 74  1  0
 22 75  1  0
 23 76  1  0
 23 77  1  0
 23 78  1  0
 24 79  1  0
 25 80  1  0
 26 81  1  6
 27 82  1  0
 27 83  1  0
 28 84  1  0
 28 85  1  0
 30 86  1  0
 30 87  1  0
 31 88  1  0
 32 89  1  0
 32 90  1  0
 32 91  1  0
 33 92  1  0
 33 93  1  0
 34 94  1  0
 35 95  1  0
 35 96  1  0
 35 97  1  0
 36 98  1  0
 36 99  1  0
 37100  1  0
 37101  1  0
 38102  1  6
 39103  1  0
 39104  1  0
 39105  1  0
 42106  1  0
 43107  1  0
 45108  1  0
 45109  1  0
 45110  1  0
 46111  1  0
 47112  1  1
 48113  1  0
 48114  1  0
M  END
$$$$
