RDKit 3D 50 52 0 0 0 0 0 0 0 0999 V2000 4.5675 3.6869 -1.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 2.2856 -1.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8462 1.3890 -1.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9925 2.0521 -0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6685 0.6907 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5886 -0.3114 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2638 -1.5783 0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1765 -2.4477 0.7326 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9195 -1.8616 0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5325 -3.0798 1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 -4.1519 1.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1784 -3.3146 1.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7534 -2.3116 1.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0928 -2.6050 1.2583 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3577 -1.0672 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 -0.0165 0.3230 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4883 -0.2420 1.0292 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 0.5101 0.7737 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8243 1.6526 1.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7678 2.5838 1.7227 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6152 1.1396 -0.6007 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9695 1.2833 -0.9261 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9643 0.2479 -1.5873 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6609 -0.9747 -1.5848 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5312 0.0541 -1.2012 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7012 0.9563 -1.7621 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9961 -0.8369 0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4121 0.3502 -0.0113 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 4.2171 -2.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6112 3.7841 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 4.2671 -0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0762 2.4474 -1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0394 2.7160 0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6222 -0.0758 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9364 -5.0532 1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2653 -3.9475 2.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9743 -4.5444 0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1185 -4.2757 1.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3938 -3.4951 1.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8481 0.9563 0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 -0.1574 0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7756 2.1350 1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8933 1.2681 2.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9901 3.3288 1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1031 2.0996 -0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1714 1.3010 -1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0487 0.6339 -2.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7373 -1.3141 -0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2839 -1.0081 -1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2173 0.6340 -2.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 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 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 15 27 2 0 27 28 1 0 28 5 1 0 27 9 1 0 25 16 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 4 33 1 0 6 34 1 0 11 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 14 39 1 0 16 40 1 1 18 41 1 6 19 42 1 0 19 43 1 0 20 44 1 0 21 45 1 1 22 46 1 0 23 47 1 6 24 48 1 0 25 49 1 6 26 50 1 0 M END