RDKit 3D 49 49 0 0 0 0 0 0 0 0999 V2000 4.7339 2.4382 1.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 1.1415 1.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9906 0.2852 2.4883 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6632 0.8240 0.2962 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0689 -0.4137 -0.0448 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6664 -0.2372 -0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2001 0.9281 -0.5207 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8435 -1.2459 -0.8881 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4681 -1.2072 -1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4919 -0.6845 -0.3784 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8902 -0.6319 -0.7863 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0668 -1.1031 -0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9174 -0.6167 0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9802 0.7078 1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0815 -1.5445 1.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1856 0.6347 -0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8934 1.4270 -1.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1102 1.4852 0.6589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 -1.1405 -1.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1127 -0.3877 -2.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2421 -1.4678 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 3.0411 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6503 2.2803 2.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0456 3.0329 2.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0459 -1.0310 0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7611 -2.2841 -1.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5267 -0.7445 -2.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3139 -1.0138 0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9839 -0.9226 -1.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3791 -2.2104 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3517 0.8155 2.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0475 0.8470 1.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9076 1.5185 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1789 -2.3707 0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9934 -0.9457 1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9078 -1.8720 2.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9978 2.0457 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7698 2.1004 -2.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7839 0.8036 -2.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7463 2.3693 0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1082 0.8931 1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0387 1.9012 0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4621 -2.1201 -1.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3065 -0.6690 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0630 -0.7756 -2.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2384 0.6953 -2.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9828 -1.7326 0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8449 -0.5305 -0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7544 -2.3123 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 20 19 1 0 19 21 1 0 19 5 1 0 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 13 15 1 0 11 16 1 0 16 17 1 0 16 18 1 0 16 10 1 0 20 44 1 0 20 45 1 0 20 46 1 0 19 43 1 0 21 47 1 0 21 48 1 0 21 49 1 0 5 25 1 1 1 22 1 0 1 23 1 0 1 24 1 0 9 26 1 0 9 27 1 0 10 28 1 1 11 29 1 6 12 30 1 0 14 31 1 0 14 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 15 36 1 0 17 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 18 42 1 0 M END