
     RDKit          3D

 81 84  0  0  0  0  0  0  0  0999 V2000
   -5.7662    0.2210   -3.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1016    1.5118   -2.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1341    2.6504   -2.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3925    1.3561   -1.5781 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3015    0.7921   -0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1846    1.1746    0.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0131    0.6172    1.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3330    1.3789    2.8143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4620   -0.7487    1.8803 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6621   -1.9021    1.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3570   -2.0310    2.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2180   -1.2935    1.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6681   -1.7328    0.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6521   -0.9232   -0.2915 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4061   -0.7986    0.4698 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6745   -1.7354    0.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6809   -2.5307   -0.6708 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8602   -1.7467    1.2483 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5000   -1.4851    2.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3261   -2.2943    3.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2369   -3.6798    3.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8373   -4.4137    3.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8183   -3.7796    4.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7245   -2.4130    4.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6611   -1.6718    4.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8510   -0.7676    0.7870 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8731   -1.1131   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9428   -2.2957   -0.6025 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -0.1201   -0.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5996    1.2601   -0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5543    2.1705   -1.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7989    1.7220   -1.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8049    2.6824   -2.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1773    2.4969   -1.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1249    3.3870   -2.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7172    4.4693   -3.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3596    4.6666   -3.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4057    3.7795   -2.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0670    0.3435   -1.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1143   -0.5637   -1.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2357    0.4206   -0.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9809    1.4361    0.0658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1989    0.5104   -1.6970 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0935   -0.6526   -3.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7010   -0.0079   -2.9330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0280    0.3478   -4.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3226    1.8039   -3.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5936    2.7745   -3.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6429    3.6112   -2.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9378    2.4348   -2.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0574    2.3749   -1.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0132    0.0208   -0.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5113    1.9855    1.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3352   -0.9496    2.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4677   -1.8663    0.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2617   -2.8223    1.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5114   -1.6385    3.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0801   -3.1053    2.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8587   -0.3775    2.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0297   -2.6598    0.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4508   -1.4486   -1.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3849   -0.1448    1.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3145   -2.7605    1.2084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2994   -0.4033    2.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3836   -1.7262    3.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9935   -4.2038    2.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9128   -5.4770    3.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6471   -4.3482    4.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4777   -1.9255    5.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6005   -0.6113    4.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371    0.2181    1.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6450    1.6430   -0.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3163    3.2270   -1.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5151    1.6737   -1.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1759    3.2381   -2.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4516    5.1539   -3.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0505    5.5053   -4.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3604    3.9380   -3.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0034   -0.0360   -1.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3577   -1.6193   -1.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1159   -0.1729   -2.4862 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  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 18 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 32 39  1  0
 39 40  2  0
 14 41  1  0
 41 42  2  0
 41 43  1  0
 43  4  1  0
 25 20  1  0
 40 29  1  0
 38 33  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  2 47  1  0
  3 48  1  0
  3 49  1  0
  3 50  1  0
  4 51  1  1
  5 52  1  0
  6 53  1  0
  9 54  1  0
 10 55  1  0
 10 56  1  0
 11 57  1  0
 11 58  1  0
 12 59  1  0
 13 60  1  0
 14 61  1  6
 15 62  1  0
 18 63  1  1
 19 64  1  0
 19 65  1  0
 21 66  1  0
 22 67  1  0
 23 68  1  0
 24 69  1  0
 25 70  1  0
 26 71  1  0
 30 72  1  0
 31 73  1  0
 34 74  1  0
 35 75  1  0
 36 76  1  0
 37 77  1  0
 38 78  1  0
 39 79  1  0
 40 80  1  0
 43 81  1  0
M  END
$$$$
