@MOLECULE spermidine 29 28 0 0 0 SMALL USER_CHARGES @ATOM 1 N -0.6270 0.3037 -0.0465 N.3 1 UNL111111111 -0.5450 2 N 5.6356 -0.1313 -0.0137 N.3 1 UNL111111111 -0.6396 3 N -5.5357 0.4175 -0.0816 N.3 1 UNL111111111 -0.6444 4 C 1.8231 0.4314 -0.0024 C.3 1 UNL111111111 -0.2820 5 C 0.6066 -0.5109 0.0483 C.3 1 UNL111111111 -0.1098 6 C 3.1221 -0.3762 0.0076 C.3 1 UNL111111111 -0.3279 7 C -1.8419 -0.5416 0.0222 C.3 1 UNL111111111 -0.1130 8 C -3.0803 0.3681 0.0138 C.3 1 UNL111111111 -0.2983 9 C 4.3397 0.5707 -0.0300 C.3 1 UNL111111111 -0.0983 10 C -4.3612 -0.4812 -0.0036 C.3 1 UNL111111111 -0.1015 11 H 1.7991 1.1354 0.8496 H 1 UNL111111111 0.1383 12 H 1.7611 1.0599 -0.9141 H 1 UNL111111111 0.1590 13 H 0.6430 -1.1389 0.9633 H 1 UNL111111111 0.1088 14 H 0.6266 -1.2025 -0.8232 H 1 UNL111111111 0.1418 15 H 3.1687 -1.0163 0.9073 H 1 UNL111111111 0.1380 16 H 3.1507 -1.0622 -0.8587 H 1 UNL111111111 0.1410 17 H -1.8466 -1.1979 -0.8773 H 1 UNL111111111 0.1436 18 H -1.8558 -1.2068 0.9117 H 1 UNL111111111 0.1079 19 H -0.6435 1.0218 0.6751 H 1 UNL111111111 0.2518 20 H -3.0572 1.0296 -0.8786 H 1 UNL111111111 0.1760 21 H -3.0748 1.0468 0.8844 H 1 UNL111111111 0.1364 22 H 4.3044 1.2073 -0.9417 H 1 UNL111111111 0.1443 23 H 4.3145 1.2662 0.8377 H 1 UNL111111111 0.1424 24 H -4.3904 -1.1534 0.8800 H 1 UNL111111111 0.1045 25 H -4.3752 -1.1287 -0.9097 H 1 UNL111111111 0.1432 26 H 5.7506 -0.7310 -0.8133 H 1 UNL111111111 0.2456 27 H 5.7586 -0.6784 0.8215 H 1 UNL111111111 0.2452 28 H -5.5542 1.0792 0.6759 H 1 UNL111111111 0.2457 29 H -6.3995 -0.0981 -0.0847 H 1 UNL111111111 0.2463 @BOND 1 22 9 1 2 12 4 1 3 25 10 1 4 20 8 1 5 17 7 1 6 16 6 1 7 14 5 1 8 26 2 1 9 29 3 1 10 3 10 1 11 3 28 1 12 1 7 1 13 1 5 1 14 1 19 1 15 9 2 1 16 9 6 1 17 9 23 1 18 2 27 1 19 10 8 1 20 10 24 1 21 4 6 1 22 4 5 1 23 4 11 1 24 6 15 1 25 8 7 1 26 8 21 1 27 7 18 1 28 5 13 1