HMDB0014830 RDKit 3D Phentolamine 40 42 0 0 0 0 0 0 0 0999 V2000 4.4480 -2.5036 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1851 -1.7321 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1472 -2.1995 0.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9795 -1.4549 1.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7952 -0.2357 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3712 0.5585 0.4983 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 0.1561 1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1961 -1.0734 0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5212 -2.0827 1.4567 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 -3.1255 0.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -2.3996 -0.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5681 -1.3304 -0.6356 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3615 1.8468 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7639 2.0262 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7403 3.2805 -1.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3058 4.3495 -1.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1038 4.2106 0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5324 5.2970 0.7966 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0742 2.9514 0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8649 0.2160 -0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0033 -0.5097 -0.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3764 -3.2071 -0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 -3.0381 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2576 -1.7415 -0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2774 -3.1502 1.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2045 -1.8513 1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3112 0.0654 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3247 0.9853 1.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4023 -3.9059 0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0413 -3.5363 1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5697 -2.0287 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4478 -3.0904 -1.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2003 -0.8369 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 1.1910 -2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 3.3764 -3.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 5.3344 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 5.2632 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4027 2.8605 1.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7824 1.1813 -0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -0.1168 -1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 6 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 5 20 1 0 20 21 2 0 21 2 1 0 12 8 1 0 19 13 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 4 26 1 0 7 27 1 0 7 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 M END