RDKit 3D 54 57 0 0 0 0 0 0 0 0999 V2000 -8.8265 1.1364 1.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3476 1.0796 0.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7575 -0.3091 0.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4402 -1.2685 1.2496 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3927 -0.3225 0.6514 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5319 -1.4405 0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9697 -2.7513 0.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0638 -3.8117 0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7065 -3.5717 0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2312 -2.2643 0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1629 -1.2077 0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7515 -2.0461 0.2229 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4348 -2.0251 -1.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8474 -1.3268 -1.2853 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8127 -0.3573 -0.1941 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2273 -0.7752 0.7186 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0349 -0.7985 2.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5138 -0.1393 0.4427 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3289 0.5102 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0853 1.8009 -0.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1014 1.5886 0.3242 N 0 0 0 0 0 4 0 0 0 0 0 0 6.2681 1.8524 -0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5709 1.8011 0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6140 2.1468 -0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5023 2.5476 -1.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3439 2.6284 -2.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1521 2.2651 -1.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9214 2.2275 -1.9153 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.9960 0.8718 2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2109 2.1504 0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4002 0.4504 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1950 1.3706 -0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8034 1.7917 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9686 0.5700 0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0191 -2.9905 1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4287 -4.8286 0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0248 -4.4184 0.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -0.1913 0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1915 -2.8780 0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1795 -1.4951 -1.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -2.0174 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5103 0.6211 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8775 -1.0375 2.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7971 -1.5371 2.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3518 0.1888 2.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0073 -0.2722 -1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5945 0.7037 -1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4388 2.6378 -0.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9145 1.2667 1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6948 1.5148 1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6244 2.1419 0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4408 2.8044 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3056 2.9429 -3.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6034 2.4698 -2.8605 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 3 5 1 0 5 6 1 0 6 7 2 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 14 15 1 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 11 6 1 0 16 12 1 0 28 20 1 0 27 22 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 5 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 11 38 1 0 12 39 1 1 13 40 1 0 14 41 1 0 15 42 1 6 17 43 1 0 17 44 1 0 17 45 1 0 19 46 1 0 19 47 1 0 20 48 1 0 21 49 1 0 23 50 1 0 24 51 1 0 25 52 1 0 26 53 1 0 28 54 1 0 M CHG 2 21 1 28 1 M END