RDKit 3D 52 53 0 0 0 0 0 0 0 0999 V2000 12.4256 3.6233 0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0347 3.0550 0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5405 2.4472 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2197 1.8872 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1027 1.4315 -0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 0.8954 -0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6883 0.4322 -0.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3444 -0.1378 -0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 -0.0952 -1.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 -0.6851 -1.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 -1.2926 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8195 -2.0085 -0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8524 -2.4613 1.1557 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 -2.2449 -0.8188 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2559 -1.7724 -2.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6011 -3.7495 -0.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7979 -4.1029 -1.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1838 -5.5177 -1.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4667 -3.2447 -2.1563 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5476 -1.5837 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8948 -1.6185 1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9935 -0.9423 1.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6754 -0.2732 0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8874 0.5236 0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8888 1.1839 0.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0623 1.9581 0.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0780 2.6161 1.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2789 3.3710 1.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3917 2.7699 1.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6719 3.5225 1.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7639 -0.6089 -0.8152 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -1.0015 0.4299 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1844 2.8794 1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5043 4.4565 1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5596 4.0942 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3994 3.1333 1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1701 2.3684 -1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8337 0.4233 -2.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5681 -0.6846 -2.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9697 -1.1573 -2.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2813 -4.2051 -1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -4.1627 0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2301 -5.6184 -2.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1717 -6.0004 -0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4766 -6.0092 -2.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 -2.1911 1.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3676 -0.9030 2.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3193 4.4136 0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3479 1.7241 1.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5080 2.7658 1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7693 4.2061 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6956 4.0908 2.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 3 0 5 6 1 0 6 7 3 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 32 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 6 14 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 14 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 31 1 0 23 24 1 0 24 25 3 0 25 26 1 0 26 27 3 0 27 28 1 0 28 29 2 0 29 30 1 0 32 8 1 0 31 20 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 3 37 1 0 9 38 1 0 10 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 18 43 1 0 18 44 1 0 18 45 1 0 21 46 1 0 22 47 1 0 28 48 1 0 29 49 1 0 30 50 1 0 30 51 1 0 30 52 1 0 M END