@MOLECULE isopentylimino(dimethyl)ammonium 26 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.3429 0.1368 0.2270 C.3 1 UNL111 -0.0602 2 C 2.4054 -1.3932 0.3231 C.3 1 UNL111 -0.4547 3 C 3.3937 0.6362 -0.7742 C.3 1 UNL111 -0.4529 4 C 0.9476 0.6047 -0.2166 C.3 1 UNL111 -0.3039 5 C -0.0809 0.4862 0.9267 C.3 1 UNL111 -0.1401 6 N -1.4184 0.8499 0.4779 N.2 1 UNL111 -0.3549 7 N -2.0967 -0.0005 -0.2640 N.2 1 UNL111 -0.1315 8 C -1.8451 -1.4561 -0.2637 C.3 1 UNL111 -0.3219 9 C -3.5305 0.3518 -0.3563 C.3 1 UNL111 -0.2534 10 H 2.5700 0.5717 1.2303 H 1 UNL111 0.1310 11 H 2.2040 -1.8627 -0.6456 H 1 UNL111 0.1433 12 H 3.3962 -1.7278 0.6502 H 1 UNL111 0.1446 13 H 1.6756 -1.7823 1.0397 H 1 UNL111 0.1374 14 H 3.1950 0.2606 -1.7838 H 1 UNL111 0.1447 15 H 3.4075 1.7304 -0.8247 H 1 UNL111 0.1437 16 H 4.3992 0.3071 -0.4917 H 1 UNL111 0.1419 17 H 0.9824 1.6588 -0.5558 H 1 UNL111 0.1541 18 H 0.6086 0.0326 -1.0987 H 1 UNL111 0.1456 19 H -0.0325 -0.5160 1.4007 H 1 UNL111 0.1254 20 H 0.1634 1.2238 1.7298 H 1 UNL111 0.1555 21 H -0.7903 -1.6561 -0.5202 H 1 UNL111 0.1593 22 H -2.0634 -1.9233 0.7093 H 1 UNL111 0.1415 23 H -2.4663 -1.9393 -1.0345 H 1 UNL111 0.1534 24 H -4.1311 -0.1125 0.4405 H 1 UNL111 0.1349 25 H -3.6552 1.4497 -0.2808 H 1 UNL111 0.1726 26 H -3.9087 0.0330 -1.3409 H 1 UNL111 0.1445 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 7 8 1 8 7 9 1 9 1 10 1 10 2 11 1 11 2 12 1 12 2 13 1 13 3 14 1 14 3 15 1 15 3 16 1 16 4 17 1 17 4 18 1 18 5 19 1 19 5 20 1 20 8 21 1 21 8 22 1 22 8 23 1 23 9 24 1 24 9 25 1 25 9 26 1