@MOLECULE 3-hydroxycadaverine 22 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0057 1.4433 -0.2634 O.3 1 UNL1111111111 -0.5633 2 N 3.7042 -0.4659 -0.2623 N.3 1 UNL1111111111 -0.6531 3 N -3.7016 -0.4662 -0.2650 N.3 1 UNL1111111111 -0.6531 4 C 0.0009 0.1680 0.3423 C.3 1 UNL1111111111 0.1578 5 C 1.2641 -0.6024 -0.0612 C.3 1 UNL1111111111 -0.3480 6 C -1.2624 -0.6082 -0.0508 C.3 1 UNL1111111111 -0.3482 7 C 2.5174 0.2066 0.3128 C.3 1 UNL1111111111 -0.0908 8 C -2.5157 0.2051 0.3134 C.3 1 UNL1111111111 -0.0909 9 H 0.0044 0.4317 1.4248 H 1 UNL1111111111 0.1382 10 H 1.2720 -0.8003 -1.1520 H 1 UNL1111111111 0.1656 11 H 1.2826 -1.5951 0.4209 H 1 UNL1111111111 0.1457 12 H -1.2706 -0.8201 -1.1391 H 1 UNL1111111111 0.1656 13 H -1.2804 -1.5945 0.4443 H 1 UNL1111111111 0.1454 14 H 2.5805 0.3346 1.4136 H 1 UNL1111111111 0.1068 15 H 2.4484 1.2287 -0.1278 H 1 UNL1111111111 0.1560 16 H -2.4424 1.2253 -0.1311 H 1 UNL1111111111 0.1562 17 H -2.5839 0.3381 1.4132 H 1 UNL1111111111 0.1068 18 H -0.0074 1.3719 -1.2380 H 1 UNL1111111111 0.3194 19 H 3.8608 -1.3705 0.1480 H 1 UNL1111111111 0.2441 20 H 4.5368 0.0885 -0.1571 H 1 UNL1111111111 0.2479 21 H -4.5330 0.0911 -0.1659 H 1 UNL1111111111 0.2479 22 H -3.8629 -1.3688 0.1479 H 1 UNL1111111111 0.2440 @BOND 1 1 4 1 2 1 18 1 3 2 7 1 4 2 19 1 5 2 20 1 6 3 8 1 7 3 21 1 8 3 22 1 9 4 5 1 10 4 6 1 11 4 9 1 12 5 7 1 13 5 10 1 14 5 11 1 15 6 8 1 16 6 12 1 17 6 13 1 18 7 14 1 19 7 15 1 20 8 16 1 21 8 17 1