RDKit 3D 49 53 0 0 0 0 0 0 0 0999 V2000 4.0276 1.6271 1.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8002 0.3700 1.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2715 -0.0656 -0.2643 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4147 -0.1509 -1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2082 0.8256 -0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9279 0.7900 -0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0206 1.7602 -1.0560 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1158 1.7339 -2.4598 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4037 1.5614 -0.7013 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3021 1.6332 -1.8238 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2882 0.6645 -1.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1792 0.3481 -2.5055 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0984 0.0381 -0.3599 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8308 0.8564 0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4038 -1.4282 -0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8267 -2.0285 0.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4603 -1.6439 1.3193 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3709 -0.3785 2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8988 -0.3980 0.8303 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5949 0.1307 -0.3290 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5773 -0.2431 0.5824 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1659 0.1631 1.8013 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2541 -1.4819 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6507 -2.5151 0.0203 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6992 -1.4589 -0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4117 1.9016 2.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8346 2.4061 0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 -0.3871 1.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2826 0.4546 -0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0561 0.2528 -2.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7764 -1.1891 -1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5328 1.5709 -1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 2.7794 -0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 2.3429 -2.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 2.2871 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7017 1.3676 0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 0.1714 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 1.6490 1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5119 -1.5336 -0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -1.9566 -1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9418 -3.1299 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5192 -1.7357 1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8562 -2.4874 1.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5649 -0.3773 3.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2994 0.0313 2.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2572 -0.4636 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3738 -0.6071 2.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2876 -2.1027 0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8048 -1.9544 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 1 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 19 18 1 1 19 20 1 0 20 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 9 7 1 0 7 8 1 0 7 6 1 0 6 5 2 0 5 3 1 0 3 4 1 0 3 25 1 0 25 23 1 0 23 24 2 0 23 21 1 0 21 22 1 1 3 2 1 1 2 1 2 3 20 13 1 0 21 6 1 0 11 13 1 0 19 17 1 0 21 19 1 0 14 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 17 43 1 1 18 44 1 0 18 45 1 0 20 46 1 6 9 35 1 1 7 33 1 1 8 34 1 0 5 32 1 0 4 29 1 0 4 30 1 0 4 31 1 0 25 48 1 0 25 49 1 0 22 47 1 0 2 28 1 0 1 26 1 0 1 27 1 0 M END