RDKit 3D 49 52 0 0 0 0 0 0 0 0999 V2000 4.4827 1.8795 0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9978 1.7710 0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3762 2.6122 1.2973 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2607 0.7249 -0.0052 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0498 -0.2195 -0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2517 -0.8901 -1.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 -1.5409 -1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2915 -0.5643 -0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8601 0.5380 0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0725 1.5880 0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4176 1.4022 0.7021 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9607 0.8629 2.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2372 -0.4122 2.3070 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6700 -1.0312 3.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3072 -1.4291 1.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1506 -0.8667 -0.1677 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6488 -1.8334 -1.0872 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3018 -1.3795 -2.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 -0.0543 -2.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5495 0.9620 -1.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8729 0.4460 -0.3593 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9554 0.8820 0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6674 2.5101 -0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8488 2.3861 1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8749 0.3498 -1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5124 -0.9810 -0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9306 -0.1638 -2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.7103 -2.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3889 -2.3564 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 -1.9614 -2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3074 2.5553 0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3512 1.7209 1.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9269 2.3846 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7488 1.5634 2.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0423 0.7585 1.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1475 -0.1617 2.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6999 -1.4317 3.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9181 -1.8040 3.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5736 -0.2404 4.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4895 -2.1728 1.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2534 -2.0132 1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -2.7476 -1.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4044 -1.3815 -2.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1443 -2.1328 -3.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6777 0.3284 -3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9896 -0.2235 -3.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5006 1.2694 -1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1533 1.8973 -1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9493 0.3108 -0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 14 13 1 0 13 12 1 0 12 11 1 0 11 10 1 0 10 9 1 0 9 8 2 0 8 7 1 0 7 6 1 0 6 5 1 0 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 8 16 1 0 16 15 1 0 16 17 1 6 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 15 13 1 0 21 11 1 0 4 9 1 0 21 16 1 0 14 37 1 0 14 38 1 0 14 39 1 0 13 36 1 1 12 34 1 0 12 35 1 0 11 33 1 6 10 31 1 0 10 32 1 0 7 29 1 0 7 30 1 0 6 27 1 0 6 28 1 0 5 25 1 0 5 26 1 0 1 22 1 0 1 23 1 0 1 24 1 0 15 40 1 0 15 41 1 0 17 42 1 0 18 43 1 0 18 44 1 0 19 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 21 49 1 6 M END