@MOLECULE n,n-dimethylbutylammonium 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.9748 0.5355 -0.7727 C.3 1 UNL11111111 0.2428 2 H -1.2136 -0.1010 -1.6632 H 1 UNL11111111 0.1802 3 C -0.3232 1.8511 -1.2477 C.3 1 UNL11111111 -1.0385 4 C -2.2844 0.8623 -0.0163 C.3 1 UNL11111111 -0.6600 5 C -3.0634 -0.4178 0.3114 C.3 1 UNL11111111 -0.0602 6 C -4.3077 -0.1040 1.1410 C.3 1 UNL11111111 -0.8021 7 N -0.1096 -0.2518 0.1260 N.3 1 UNL11111111 -0.7365 8 C 1.0369 -0.9100 -0.5452 C.3 1 UNL11111111 0.2203 9 H 1.2077 -0.4875 -1.5679 H 1 UNL11111111 0.1480 10 C 0.6863 -2.4042 -0.6815 C.3 1 UNL11111111 -0.9678 11 C 2.3283 -0.7493 0.2878 C.3 1 UNL11111111 -0.6144 12 C 2.9119 0.6624 0.1585 C.3 1 UNL11111111 -0.0879 13 C 4.0713 0.8624 1.1344 C.3 1 UNL11111111 -0.8284 14 H -0.1325 2.5292 -0.4106 H 1 UNL11111111 0.2942 15 H 0.6316 1.6647 -1.7489 H 1 UNL11111111 0.2548 16 H -0.9694 2.3756 -1.9582 H 1 UNL11111111 0.2699 17 H -2.0569 1.4129 0.9144 H 1 UNL11111111 0.2596 18 H -2.9058 1.5382 -0.6304 H 1 UNL11111111 0.2294 19 H -3.3437 -0.9426 -0.6196 H 1 UNL11111111 0.1187 20 H -2.4021 -1.1206 0.8607 H 1 UNL11111111 0.1575 21 H -4.8643 -1.0172 1.3778 H 1 UNL11111111 0.2309 22 H -4.0428 0.3750 2.0901 H 1 UNL11111111 0.2402 23 H -4.9869 0.5693 0.6076 H 1 UNL11111111 0.2197 24 H 0.1734 0.2843 0.9394 H 1 UNL11111111 0.4154 25 H 1.4707 -2.9539 -1.2058 H 1 UNL11111111 0.2657 26 H 0.5353 -2.8630 0.3023 H 1 UNL11111111 0.3094 27 H -0.2525 -2.5301 -1.2332 H 1 UNL11111111 0.2634 28 H 2.1229 -0.9893 1.3483 H 1 UNL11111111 0.2640 29 H 3.0766 -1.4938 -0.0409 H 1 UNL11111111 0.2431 30 H 3.2562 0.8350 -0.8791 H 1 UNL11111111 0.1191 31 H 2.1295 1.4226 0.3443 H 1 UNL11111111 0.1263 32 H 4.5195 1.8559 1.0213 H 1 UNL11111111 0.2185 33 H 3.7402 0.7671 2.1748 H 1 UNL11111111 0.2540 34 H 4.8637 0.1230 0.9720 H 1 UNL11111111 0.2508 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 12 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 6 21 1 21 6 22 1 22 6 23 1 23 7 24 1 24 10 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 13 32 1 32 13 33 1 33 13 34 1