HMDB0255202 RDKit 3D N-Nitrosodibutylamine 29 28 0 0 0 0 0 0 0 0999 V2000 4.1886 1.0728 0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9177 0.5513 -0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3711 -0.5082 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1606 -1.2254 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.4703 -0.1788 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 0.1956 0.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1701 0.6595 0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0331 -0.4950 -0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3803 -0.0058 -0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4816 -0.3438 -1.5248 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3826 0.7609 -2.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0902 0.6244 -0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2200 0.7914 1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2896 2.1533 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2019 0.2371 -1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2476 1.4349 -0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1274 -0.0129 1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1658 -1.2799 0.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -1.9428 0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3447 -1.9221 -0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9411 -0.4106 1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 1.1393 1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6795 1.2414 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0581 1.3498 -0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2058 -1.1639 0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5226 -1.1457 -0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 -0.2221 0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6679 -0.5061 -1.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4153 1.0871 -0.8131 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 5 10 1 0 10 11 2 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 M END