
     RDKit          3D

 70 74  0  0  0  0  0  0  0  0999 V2000
    2.0681   -0.4825   -1.6914 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9346    0.7395   -1.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5911    1.3971   -1.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4301    0.6168   -0.8164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0651   -0.4304   -1.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4211   -1.6562   -0.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635   -2.8258   -1.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3566   -3.2926   -1.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4495   -2.2504   -1.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4608   -2.0467   -0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8201   -1.8892    0.8816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7135   -0.6920    1.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8395   -0.7691    2.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7548    0.3790    3.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5366    1.6199    3.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3871    1.7138    1.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4511    0.5592    1.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2297    0.6308   -0.3802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7440    1.7575   -1.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5940    2.4302   -1.8734 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2176    3.5461   -2.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9269    4.0465   -2.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0239    3.3765   -1.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4026    2.1982   -0.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3878    1.4553   -0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    1.5000   -0.9588 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3129    0.8673   -0.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1210    0.1811    0.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4053   -0.4472    1.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7026   -1.7931    0.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9133   -2.3802    1.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8026   -1.5957    2.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5308   -0.3037    2.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3439    0.3144    2.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5873    0.2281    3.1119 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5858   -0.7932    3.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0424   -1.9415    2.5855 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    1.5021   -2.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6845    2.4209   -1.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3657   -0.7728   -2.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635   -0.0454   -2.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5072   -1.9953   -0.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1555   -1.3616   -0.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2632   -3.6861   -1.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0056   -2.5592   -2.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3140   -3.5367   -0.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6022   -4.2431   -1.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0051   -2.5835   -2.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0004   -1.2787   -1.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1237   -1.1827   -0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1070   -2.9488   -0.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0196   -1.7270    3.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8615    0.3055    4.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4757    2.5095    3.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2106    2.6885    1.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9269    4.0511   -3.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6285    4.9482   -2.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0370    3.7952   -1.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8900    0.8193    0.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8292    2.1930    0.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0009    2.5431   -0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6427    0.1322   -1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1020    1.6447   -0.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3306   -0.5967    0.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7767    0.9277    1.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9993   -2.3790    0.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1514   -3.4061    1.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1556    1.3485    2.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5298   -0.4752    2.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7566   -1.0194    4.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  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
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  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  2  0
 24 25  1  0
  2 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 25  4  1  0
 34 29  1  0
 17 12  1  0
 24 19  1  0
 37 32  1  0
  3 38  1  0
  3 39  1  0
  5 40  1  0
  5 41  1  0
  6 42  1  0
  6 43  1  0
  7 44  1  0
  7 45  1  0
  8 46  1  0
  8 47  1  0
  9 48  1  0
  9 49  1  0
 10 50  1  0
 10 51  1  0
 13 52  1  0
 14 53  1  0
 15 54  1  0
 16 55  1  0
 21 56  1  0
 22 57  1  0
 23 58  1  0
 25 59  1  0
 25 60  1  0
 26 61  1  0
 27 62  1  0
 27 63  1  0
 28 64  1  0
 28 65  1  0
 30 66  1  0
 31 67  1  0
 34 68  1  0
 36 69  1  0
 36 70  1  0
M  END
$$$$
