
     RDKit          3D

 78 82  0  0  0  0  0  0  0  0999 V2000
    9.1958   -0.3255    0.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8052    0.1331    0.9426 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5367    1.4787    0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5054    1.5396   -1.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1430    1.1421   -1.7325 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7921   -0.2723   -1.5393 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5813   -0.7277   -2.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5710   -0.8962   -3.4115 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3323   -0.9184   -1.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3338   -1.5969   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1482   -1.7765    0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9437   -1.2695    0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9199   -0.5853   -1.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1168   -0.4266   -1.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3746   -0.0591   -1.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0329    0.9706   -0.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3119    2.0754   -0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415    3.0265    0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2973    2.8866    0.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0362    1.7975    0.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4010    0.8559   -0.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5258    1.7264    0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9629    0.3264    0.7332 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2888   -0.0240    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4182    0.9812    0.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1931    1.4296   -0.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6358    0.2982   -1.4571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5602   -0.4497   -2.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1664   -0.2432   -1.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8329   -0.1041    2.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1303   -1.4594    2.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8040   -1.3105    1.7149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964   -2.5282    1.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0087   -2.5969    0.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2180   -1.4163    0.8288 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6682   -1.2402   -0.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7920   -0.8925    0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8879    0.4237    1.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4630   -0.4718   -0.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3572   -1.2804    1.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5814    1.8533    0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3178    2.1832    0.7557 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3131    0.9366   -1.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7022    2.5912   -1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3477    1.7800   -1.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1677    1.3527   -2.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2394   -2.0261    0.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653   -2.3079    1.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1068    0.0885   -2.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0524   -0.9232   -1.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2160    0.4003   -2.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345    2.2002   -0.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3807    3.8835    0.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7714    3.6507    1.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9687    0.0200   -0.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7980    2.3614    1.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0234    2.1810   -0.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5999   -1.0174    0.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1296    0.4835    1.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0488    1.8805    1.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0770    2.0165   -0.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5689    2.1012   -1.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8299   -1.5308   -1.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4944   -0.2238   -3.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5139   -1.1266   -1.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6720    0.6244   -1.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8331   -0.1715    2.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2309    0.6074    2.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7008   -2.1832    1.5646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1281   -1.8161    3.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7474   -3.4284    1.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6256   -2.5673    2.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4844   -2.6644   -0.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3648   -3.4980    0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6502   -1.3040   -1.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2372   -2.2592   -0.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0288   -1.8231    1.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8113   -0.5452    1.0282 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  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  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
 23 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
  6 36  1  0
 36 37  1  0
 37  2  1  0
 14  9  1  0
 21 16  1  0
 29 24  1  0
 35 12  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  3 41  1  0
  3 42  1  0
  4 43  1  0
  4 44  1  0
  5 45  1  0
  5 46  1  0
 10 47  1  0
 11 48  1  0
 14 49  1  0
 15 50  1  0
 15 51  1  0
 17 52  1  0
 18 53  1  0
 19 54  1  0
 21 55  1  0
 22 56  1  0
 22 57  1  0
 24 58  1  0
 25 59  1  0
 25 60  1  0
 26 61  1  0
 26 62  1  0
 28 63  1  0
 28 64  1  0
 29 65  1  0
 29 66  1  0
 30 67  1  0
 30 68  1  0
 31 69  1  0
 31 70  1  0
 33 71  1  0
 33 72  1  0
 34 73  1  0
 34 74  1  0
 36 75  1  0
 36 76  1  0
 37 77  1  0
 37 78  1  0
M  END
$$$$
