@MOLECULE n1-acetylspermine 45 44 0 0 0 SMALL USER_CHARGES @ATOM 1 O -6.9932 -0.3559 1.2018 O.2 1 UNL11111111 -0.5309 2 N -1.6806 1.0296 0.1434 N.3 1 UNL11111111 -0.5489 3 N 4.4202 -0.1327 -0.2425 N.3 1 UNL11111111 -0.5475 4 N -5.8392 -0.2635 -0.7410 N.am 1 UNL11111111 -0.6184 5 N 9.2781 -0.8339 -0.3258 N.3 1 UNL11111111 -0.6451 6 C 0.7459 0.7016 0.3177 C.3 1 UNL11111111 -0.2858 7 C 1.9818 0.0990 -0.3524 C.3 1 UNL11111111 -0.2871 8 C -0.5121 0.4022 -0.5171 C.3 1 UNL11111111 -0.1086 9 C 3.2441 0.4215 0.4679 C.3 1 UNL11111111 -0.1068 10 C -2.9368 0.7441 -0.5889 C.3 1 UNL11111111 -0.1078 11 C -4.1230 1.2521 0.2457 C.3 1 UNL11111111 -0.3228 12 C 5.6797 0.1497 0.4847 C.3 1 UNL11111111 -0.1130 13 C 6.8411 -0.5467 -0.2417 C.3 1 UNL11111111 -0.2989 14 C -5.4514 1.1331 -0.5196 C.3 1 UNL11111111 -0.0579 15 C 8.1785 -0.1857 0.4242 C.3 1 UNL11111111 -0.1008 16 C -6.5770 -0.9346 0.2205 C.2 1 UNL11111111 0.6081 17 C -6.8451 -2.3876 -0.0630 C.3 1 UNL11111111 -0.5324 18 H 0.8578 1.7992 0.4280 H 1 UNL11111111 0.1577 19 H 0.6300 0.3064 1.3435 H 1 UNL11111111 0.1367 20 H 2.1029 0.4991 -1.3795 H 1 UNL11111111 0.1581 21 H 1.8664 -0.9940 -0.4676 H 1 UNL11111111 0.1355 22 H -0.4095 0.8522 -1.5296 H 1 UNL11111111 0.1420 23 H -0.6304 -0.6930 -0.6574 H 1 UNL11111111 0.1085 24 H 3.1413 0.0349 1.5042 H 1 UNL11111111 0.1089 25 H 3.3741 1.5242 0.5420 H 1 UNL11111111 0.1428 26 H -3.0630 -0.3340 -0.8222 H 1 UNL11111111 0.1046 27 H -2.8887 1.2873 -1.5592 H 1 UNL11111111 0.1404 28 H -1.7509 0.7300 1.1147 H 1 UNL11111111 0.2538 29 H -3.9504 2.3106 0.5287 H 1 UNL11111111 0.1647 30 H -4.1950 0.6971 1.2012 H 1 UNL11111111 0.1571 31 H 4.3090 -1.1324 -0.4003 H 1 UNL11111111 0.2512 32 H 5.6443 -0.1667 1.5489 H 1 UNL11111111 0.1079 33 H 5.8323 1.2526 0.4759 H 1 UNL11111111 0.1437 34 H 6.8597 -0.2375 -1.3087 H 1 UNL11111111 0.1757 35 H 6.6961 -1.6408 -0.2549 H 1 UNL11111111 0.1364 36 H -6.2587 1.6442 0.0636 H 1 UNL11111111 0.1691 37 H -5.3882 1.6473 -1.5037 H 1 UNL11111111 0.1351 38 H 8.3414 0.9150 0.3766 H 1 UNL11111111 0.1428 39 H 8.1638 -0.4679 1.4989 H 1 UNL11111111 0.1046 40 H -5.4006 -0.7467 -1.5017 H 1 UNL11111111 0.3032 41 H 10.1784 -0.6077 0.0613 H 1 UNL11111111 0.2466 42 H 9.1762 -1.8341 -0.3533 H 1 UNL11111111 0.2457 43 H -5.9234 -2.9822 -0.0666 H 1 UNL11111111 0.1704 44 H -7.4994 -2.8064 0.7201 H 1 UNL11111111 0.1887 45 H -7.3553 -2.5335 -1.0234 H 1 UNL11111111 0.1725 @BOND 1 27 10 1 2 22 8 1 3 37 14 1 4 40 4 1 5 20 7 1 6 34 13 1 7 45 17 1 8 26 10 1 9 4 14 1 10 4 16 am 11 23 8 1 12 10 2 1 13 10 11 1 14 14 36 1 15 14 11 1 16 8 2 1 17 8 6 1 18 21 7 1 19 31 3 1 20 42 5 1 21 7 6 1 22 7 9 1 23 5 41 1 24 5 15 1 25 35 13 1 26 3 9 1 27 3 12 1 28 13 15 1 29 13 12 1 30 43 17 1 31 17 16 1 32 17 44 1 33 2 28 1 34 16 1 2 35 11 29 1 36 11 30 1 37 6 18 1 38 6 19 1 39 38 15 1 40 15 39 1 41 9 25 1 42 9 24 1 43 33 12 1 44 12 32 1