RDKit 3D 49 52 0 0 0 0 0 0 0 0999 V2000 -1.1722 3.5425 1.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 2.7485 0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7526 1.4380 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9392 0.9127 0.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 1.7301 1.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 3.0361 1.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -0.4154 0.5208 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -1.5126 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5802 -2.4212 -0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8108 -1.8902 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6855 -0.7296 0.6548 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1732 -2.5985 -0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3440 -1.8028 -0.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6809 -2.8130 -1.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -1.7273 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3688 -2.3581 -0.7831 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4465 -1.2645 1.2135 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8288 -1.5959 1.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8225 -0.5707 0.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0506 -0.6978 -0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 0.1437 -1.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1653 1.4115 -1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4834 1.7401 -1.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2073 0.6861 -1.3859 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4540 -0.2912 -0.8512 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0822 2.8093 -2.4397 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 2.1947 -1.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0878 2.8360 -2.2253 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8744 4.5639 1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 3.1613 0.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1282 0.8797 -0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6982 1.3585 2.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 3.6597 2.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3794 -3.3749 -0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3865 -3.3730 0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1932 -0.7498 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3252 -2.0360 -0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2149 -3.7334 -1.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0908 -2.4440 -2.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0934 -0.8484 1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9108 -1.6306 2.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0534 -2.5994 1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4934 0.4470 1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7772 -0.7243 1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2529 -1.7439 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4094 -1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2142 0.5745 -1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 3.5831 -2.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0860 2.8988 -2.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 8 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 23 26 1 0 22 27 1 0 27 28 3 0 6 1 1 0 11 7 1 0 14 12 1 0 25 21 2 0 1 29 1 0 2 30 1 0 3 31 1 0 5 32 1 0 6 33 1 0 9 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 24 47 1 0 26 48 1 0 26 49 1 0 M END