
     RDKit          3D

 84 87  0  0  0  0  0  0  0  0999 V2000
   10.0703    3.1962   -0.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3736    1.8091   -0.3383 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4143    0.7873   -0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8579   -0.5409   -0.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9423   -1.5955   -0.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5725   -1.3315   -0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1084   -0.0078   -0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6296    0.2849   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1479    0.4955    1.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6817    0.9583    1.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7781   -0.1210    0.8696 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276   -0.1623   -0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6237    0.4775   -1.3718 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9858   -1.1236   -0.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0016   -1.2669    0.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2886   -2.7084    0.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6697   -3.5370    0.9119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5967   -3.1871    1.2867 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8917   -2.5055    1.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0323   -1.3486    2.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1746   -2.1042   -0.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3176   -2.3048   -1.1923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4734   -1.6050   -0.6704 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5642   -2.5854   -0.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6978   -0.2535   -1.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5151    0.6427   -0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9534    0.2101   -0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4248   -0.3646    1.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7490   -0.8128    1.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6117   -0.6769    0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1538   -0.0961   -1.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8310    0.3513   -1.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3892    0.4681   -1.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6463    0.8025   -0.4672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5757    1.7016   -0.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6283    2.7355    0.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6346    3.7162    0.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4261    3.6685   -0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5112    2.6252   -1.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4548    1.6040   -1.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897    0.4976   -2.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5866    0.7121   -3.4709 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2568   -0.7902   -1.9016 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0315    1.0509   -0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0185    3.7740   -0.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5572    3.3993    0.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4302    3.5104   -1.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9189   -0.7535   -0.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2960   -2.6178   -0.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8715   -2.1581   -0.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4186    1.2014   -0.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.5571   -0.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7701    1.2871    1.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2682   -0.4473    1.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4323    1.2580    2.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367    1.8538    0.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6595   -0.9232    1.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4928   -2.0983   -0.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9309   -0.7650    0.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3666   -0.7464    1.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6364   -4.1709    1.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6779   -3.2413    1.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3775   -0.4920    1.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7839   -1.6976    3.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0806   -0.9901    2.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8719   -2.7866    0.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2270   -3.5360   -1.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4403   -2.2222   -1.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2711   -0.3700   -2.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0246    0.6616    0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5157    1.6921   -0.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7656   -0.4797    1.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1041   -1.2655    2.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6359   -1.0277    0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8243    0.0008   -1.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4855    0.7932   -2.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6399    1.3966   -2.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8003   -0.1767   -2.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4618    2.7997    1.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7041    4.5297    1.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1830    4.4421   -0.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3320    2.6135   -1.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448   -1.5261   -2.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6674    2.0703   -0.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  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
 16 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 25 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 41 43  1  0
  7 44  2  0
 44  3  1  0
 43 14  1  0
 32 27  1  0
 40 35  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  4 48  1  0
  5 49  1  0
  6 50  1  0
  8 51  1  0
  8 52  1  0
  9 53  1  0
  9 54  1  0
 10 55  1  0
 10 56  1  0
 11 57  1  0
 14 58  1  0
 15 59  1  0
 15 60  1  0
 18 61  1  0
 19 62  1  0
 20 63  1  0
 20 64  1  0
 20 65  1  0
 24 66  1  0
 24 67  1  0
 24 68  1  0
 25 69  1  0
 26 70  1  0
 26 71  1  0
 28 72  1  0
 29 73  1  0
 30 74  1  0
 31 75  1  0
 32 76  1  0
 33 77  1  0
 33 78  1  0
 36 79  1  0
 37 80  1  0
 38 81  1  0
 39 82  1  0
 43 83  1  0
 44 84  1  0
M  END
$$$$
