
     RDKit          3D

106110  0  0  0  0  0  0  0  0999 V2000
   -5.0958    2.0465    2.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5993    2.5374    0.9558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1553    2.0941    0.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6830    2.6679   -0.5449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0212    3.8989   -0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7442    5.0688   -0.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    6.3067   -0.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7217    6.3817   -0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0095    5.2178   -0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6323    3.9713   -0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1399    2.7434   -0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3503    2.3428    1.0537 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5827    1.9655   -1.2345 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1072    0.5975   -1.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1390   -0.3760   -0.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0806   -0.7145    0.3047 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2148   -0.8620   -1.7291 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756   -1.8507   -1.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4036   -1.1590   -0.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4276   -0.7934   -1.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5427   -0.0944   -1.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6433    0.2549    0.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8597    0.9894    0.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0410    0.1045    0.6781 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2767    0.9026    0.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5141   -0.0058    0.8478 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1657   -1.3728    0.7484 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2947   -1.7168    1.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0161   -0.8518    1.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6152   -0.1062    1.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5039   -0.8141    0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2948    0.3961   -2.9087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0678   -0.8676   -3.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6182   -0.9886   -4.3253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1606   -1.9491   -2.2574 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571   -3.1253   -2.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3279   -2.1397   -1.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8451   -2.2789    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8842   -2.9124    1.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2662   -4.2490    0.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2479   -4.8321    1.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8474   -4.0919    2.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4586   -2.7695    2.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4734   -2.1837    2.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3963   -1.0536   -1.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1047    0.1238   -1.7658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7385   -1.3492   -1.0143 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5096   -0.4147   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8803   -1.0406    0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8207   -1.2340   -0.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5876   -0.2406    1.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6615    0.9400   -0.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9732    0.9760   -2.0631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5332    2.1906   -0.1324 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8955    0.9720    2.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5641    2.5883    3.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1821    2.2502    2.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5790    3.6487    1.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0868    0.9920    0.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4985    2.4022    1.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8109    5.0217   -1.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6559    7.2081   -1.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264    7.3452   -0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0766    5.2831   -0.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1499    2.4341   -1.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8122    0.4692   -0.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3772   -0.4540   -2.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7206   -2.4941   -0.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4444   -2.5287   -2.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3570   -1.0416   -2.6706 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3282    0.1747   -1.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6882    1.4000    1.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0204    1.8679    0.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3618    1.5041   -0.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2544    1.5988    1.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0544    0.1956    1.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2198    0.2388    0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0105   -2.7832    1.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8190   -1.6420    2.7905 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1358   -1.5223    1.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9290   -0.3115    2.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6786    0.1508    2.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7149   -1.0815    1.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5887    0.4555   -3.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9533    1.2459   -3.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560   -2.8215   -2.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8474   -3.6816   -3.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2464   -3.8081   -1.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220   -3.0885   -1.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5648   -1.2773    0.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9309   -2.9022    0.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8116   -4.8350    0.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5439   -5.8577    1.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6141   -4.5381    3.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9172   -2.2006    3.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1759   -1.1612    2.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0203   -2.3497   -1.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9334   -0.2965    0.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6764   -2.0490    0.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1657   -0.2567   -1.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3091   -1.7823   -1.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7112   -1.8224   -0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9643   -0.2234    2.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7879    0.8035    0.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5538   -0.7223    1.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0251    3.0025   -0.5755 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
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 22 30  1  0
 30 31  2  0
 14 32  1  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 37 45  1  0
 45 46  2  0
 45 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 49 51  1  0
 48 52  1  0
 52 53  2  0
 52 54  1  0
 54  2  1  0
 10  5  1  0
 31 19  1  0
 44 39  1  0
 29 24  1  0
  1 55  1  0
  1 56  1  0
  1 57  1  0
  2 58  1  0
  3 59  1  0
  3 60  1  0
  6 61  1  0
  7 62  1  0
  8 63  1  0
  9 64  1  0
 13 65  1  0
 14 66  1  0
 17 67  1  0
 18 68  1  0
 18 69  1  0
 20 70  1  0
 21 71  1  0
 23 72  1  0
 23 73  1  0
 25 74  1  0
 25 75  1  0
 26 76  1  0
 26 77  1  0
 28 78  1  0
 28 79  1  0
 29 80  1  0
 29 81  1  0
 30 82  1  0
 31 83  1  0
 32 84  1  0
 32 85  1  0
 36 86  1  0
 36 87  1  0
 36 88  1  0
 37 89  1  0
 38 90  1  0
 38 91  1  0
 40 92  1  0
 41 93  1  0
 42 94  1  0
 43 95  1  0
 44 96  1  0
 47 97  1  0
 48 98  1  0
 49 99  1  0
 50100  1  0
 50101  1  0
 50102  1  0
 51103  1  0
 51104  1  0
 51105  1  0
 54106  1  0
M  END
$$$$
