
     RDKit          3D

103106  0  0  0  0  0  0  0  0999 V2000
    1.9881   -5.9072   -3.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3008   -4.8367   -2.6275 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9976   -4.7931   -1.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3439   -5.8317   -0.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0257   -5.7335    0.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3526   -4.6101    1.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0234   -3.5693    0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6950   -2.3193    1.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9521   -1.8199    0.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0733   -2.9083    0.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4001   -3.7183    1.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8106   -3.8559   -1.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5321   -0.5622    1.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7387    0.0072    0.4294 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0534   -0.2142    0.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2638   -0.3592    2.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0560   -0.3239    0.2423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6254    0.6834   -0.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9227    2.0659   -0.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6484    2.4552   -2.1461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3062    2.1995   -2.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8116    3.1806   -0.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3372    4.4443   -0.5805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9081    3.1789    1.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7907    4.1996    1.7667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5594    3.3965    2.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931    2.1506    2.4365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7682    2.3109    3.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4061    1.8383    2.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1872    0.6504    2.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4473   -0.7052    2.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3021   -1.2332    1.3810 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4120   -1.0855    0.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4881   -1.6969    0.7141 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3066   -0.2191   -0.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5099    0.6372   -0.8462 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1799    2.0223   -1.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4077    2.9425   -1.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7291    2.1507   -0.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9149    3.0582   -1.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8201    3.3385   -0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8720    4.1656   -0.4129 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0657    4.7300   -1.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1626    4.4622   -2.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1097    3.6366   -2.4289 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7262    0.9841   -1.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    0.0605   -1.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3269   -3.6683   -0.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4019   -6.8452   -3.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1081   -5.6675   -4.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9953   -6.0387   -2.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8654   -6.7137   -0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3092   -6.5278    1.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1302   -4.5503    2.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0918   -2.6099    2.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5988   -1.4838   -0.6385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0078   -2.3876   -0.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5511   -3.0502    2.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3355   -4.2982    1.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5883   -4.4372    1.6534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1162   -4.6743   -0.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7634   -4.3363   -1.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4114   -3.3013   -1.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7441    0.2015    1.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7216   -0.7967    2.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5448    0.2660    3.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1530   -1.4223    2.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2884   -0.0260    2.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6213    0.8151   -1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0639    0.0235   -1.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9956    1.9908   -0.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6227    2.8330   -1.8848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586    2.4668   -3.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0605    1.1215   -2.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8516    3.0451   -0.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7968    4.6772   -1.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3275    2.2144    1.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7127    3.8773    1.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8605    3.9856    1.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7540    3.9770    3.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8288    1.7096    4.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5722    3.3564    3.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0550    1.5955    1.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1171    2.6850    2.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1746    0.5761    2.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4102    0.8650    3.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510   -0.5963    3.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116   -1.4478    3.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1745   -0.8604   -1.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3764    0.3792   -0.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3696    2.4243   -0.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8221    2.0475   -2.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2971    3.5543   -0.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4342    3.6459   -1.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7948    1.7106    0.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6942    2.9032    0.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9078    5.3888   -1.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2979    4.9049   -3.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625    0.3935   -1.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7035    1.3891   -3.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0399   -0.1365   -2.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8598   -0.9140   -1.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0637   -2.8805   -1.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  9 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 14 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 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
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 39 46  1  0
 46 47  1  0
  7 48  2  0
 48  3  1  0
 32  8  1  0
 47 36  1  0
 45 40  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
  4 52  1  0
  5 53  1  0
  6 54  1  0
  8 55  1  0
  9 56  1  0
 10 57  1  0
 11 58  1  0
 11 59  1  0
 11 60  1  0
 12 61  1  0
 12 62  1  0
 12 63  1  0
 13 64  1  0
 13 65  1  0
 16 66  1  0
 16 67  1  0
 16 68  1  0
 18 69  1  0
 18 70  1  0
 19 71  1  0
 21 72  1  0
 21 73  1  0
 21 74  1  0
 22 75  1  0
 23 76  1  0
 24 77  1  0
 25 78  1  0
 26 79  1  0
 26 80  1  0
 28 81  1  0
 28 82  1  0
 29 83  1  0
 29 84  1  0
 30 85  1  0
 30 86  1  0
 31 87  1  0
 31 88  1  0
 35 89  1  0
 35 90  1  0
 37 91  1  0
 37 92  1  0
 38 93  1  0
 38 94  1  0
 39 95  1  0
 41 96  1  0
 43 97  1  0
 44 98  1  0
 46 99  1  0
 46100  1  0
 47101  1  0
 47102  1  0
 48103  1  0
M  END
$$$$
