
     RDKit          3D

 99101  0  0  0  0  0  0  0  0999 V2000
    1.3555    5.6460   -0.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2321    4.4348   -0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6687    4.9002   -0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6886    3.6535    0.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3778    2.8869    0.3828 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7551    3.8365    0.3702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9077    3.3934   -0.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1293    3.0506    0.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2584    2.4629   -0.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5314    2.1817    0.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3025    1.1754    1.4188 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1107   -0.2346    1.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7996   -0.9493    2.1921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2394   -0.8917   -0.1606 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3988   -1.9059   -0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2206   -3.1042    0.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8738   -3.1531    1.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7060   -4.2580    2.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8866   -5.3208    2.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2370   -5.2845    1.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4039   -4.1816    0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9686   -1.5243   -0.5278 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4414   -1.4888   -1.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1894   -1.1501   -2.8209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9842   -1.7801   -2.1489 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4643   -3.0324   -1.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1490   -0.6009   -1.8582 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9674    0.3945   -2.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8706   -0.2147   -0.5005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243    0.1282    0.2459 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5075   -0.3881    0.0991 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6565   -0.2418   -0.9237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9956   -0.5744   -0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9583    0.4291   -0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2027    0.1140    0.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5072   -1.2099    0.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7558   -1.5312    1.3173 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -1.8978    0.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5835   -3.1143   -0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3490   -0.7142   -0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0285   -2.2659    1.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5457   -2.2103    0.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2997   -1.8974    0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7094    0.4782    1.2757 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2060    1.8193    1.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2449    2.1507    2.5763 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3978    5.3151   -1.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1539    6.2651   -0.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8573    6.2824   -1.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2673    3.7577   -1.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3315    4.0210   -0.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7048    5.5508    0.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0658    5.4714   -1.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4654    2.9200    0.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5472    4.3450    1.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4774    2.4072   -0.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0305    4.1387    1.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6565    2.5273   -1.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1808    4.2236   -1.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8354    2.3208    1.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4882    3.9745    0.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5117    3.1852   -1.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9021    1.5323   -0.9178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8603    3.1306    0.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3582    1.8608   -0.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2933    1.5126    2.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4832   -0.1168   -0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3493   -1.3800    0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5032   -2.2597   -1.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5146   -2.3352    2.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2190   -4.2914    3.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7552   -6.1731    3.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6078   -6.1127    0.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9001   -4.1699   -0.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4351   -2.0309    0.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9044   -2.0126   -3.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1239   -3.9003   -1.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4384   -3.2696   -1.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4187   -2.8855   -0.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2475    1.1798   -2.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5731   -0.0962   -3.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9405    0.8754   -3.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5328   -1.4426    0.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4901   -0.9463   -1.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6818    0.7751   -1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7538    1.4513   -0.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9314    0.8963    0.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4927   -3.4546   -0.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8106   -2.8611   -1.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2060   -3.9564    0.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5421    0.1787    0.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5661   -0.4573   -1.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2801   -0.9664   -0.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -1.4049    2.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9487   -2.5559    0.9574 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7208   -3.1147    2.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7658   -3.2309    0.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5744   -2.6870   -0.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359   -0.0024    2.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 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
 14 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 38 41  1  0
 36 42  1  0
 42 43  2  0
 31 44  1  0
 44 45  1  0
 45 46  2  0
 45  5  1  0
 21 16  1  0
 43 33  1  0
  1 47  1  0
  1 48  1  0
  1 49  1  0
  2 50  1  0
  3 51  1  0
  3 52  1  0
  3 53  1  0
  4 54  1  0
  4 55  1  0
  5 56  1  6
  6 57  1  0
  7 58  1  0
  7 59  1  0
  8 60  1  0
  8 61  1  0
  9 62  1  0
  9 63  1  0
 10 64  1  0
 10 65  1  0
 11 66  1  0
 14 67  1  6
 15 68  1  0
 15 69  1  0
 17 70  1  0
 18 71  1  0
 19 72  1  0
 20 73  1  0
 21 74  1  0
 22 75  1  0
 25 76  1  6
 26 77  1  0
 26 78  1  0
 26 79  1  0
 28 80  1  0
 28 81  1  0
 28 82  1  0
 31 83  1  1
 32 84  1  0
 32 85  1  0
 34 86  1  0
 35 87  1  0
 39 88  1  0
 39 89  1  0
 39 90  1  0
 40 91  1  0
 40 92  1  0
 40 93  1  0
 41 94  1  0
 41 95  1  0
 41 96  1  0
 42 97  1  0
 43 98  1  0
 44 99  1  0
M  END
$$$$
