RDKit 3D 48 50 0 0 0 0 0 0 0 0999 V2000 -4.3455 -3.2421 0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5388 -2.9251 1.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4252 -1.4244 2.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5573 -0.7439 1.0844 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1747 -0.7894 1.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3141 -0.1765 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9153 0.6192 -0.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2182 1.2346 -1.5809 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3906 0.6664 -0.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1841 -0.0072 0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5377 0.0426 -0.0278 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1169 0.7441 -1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3801 1.4341 -1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 1.3901 -1.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6158 0.7929 -1.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -0.3287 0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5423 -1.0766 1.4757 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 0.4265 -0.2639 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3526 0.5552 -0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9163 1.4169 -1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2981 1.6193 -1.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1461 0.9623 -0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5813 0.0957 0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1962 -0.1051 0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6410 1.1620 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2081 1.8328 0.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2925 3.0963 0.7809 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5706 1.0430 1.7556 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.8561 -2.8616 -0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4481 -4.3282 0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3503 -2.8108 0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 -3.4091 2.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5414 -3.3754 1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9859 -1.3032 3.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4217 -0.9736 2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -1.3911 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8702 1.9915 -2.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3897 1.9181 -2.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9944 0.6272 -2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0377 0.0201 -0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9597 1.7648 -0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4663 0.9825 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2899 1.9502 -1.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 2.3025 -1.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2272 -0.4124 1.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 -0.7785 1.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9085 1.7707 -1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1249 0.1899 -0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 12 15 1 0 6 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 22 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 10 4 1 0 14 9 1 0 24 19 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 5 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 15 41 1 0 18 42 1 0 20 43 1 0 21 44 1 0 23 45 1 0 24 46 1 0 25 47 1 0 25 48 1 0 M CHG 1 28 -1 M END