@MOLECULE 3,3-dimethylpentane 23 22 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0034 0.3578 0.0035 C.3 1 UNL111 0.1100 2 C 0.7716 -0.9140 -0.4223 C.3 1 UNL111 -0.2763 3 C -1.4482 0.2872 -0.5395 C.3 1 UNL111 -0.2823 4 C 0.6618 1.6091 -0.6077 C.3 1 UNL111 -0.4681 5 C -0.0110 0.4972 1.5329 C.3 1 UNL111 -0.4610 6 C 2.2453 -0.9192 -0.0170 C.3 1 UNL111 -0.4352 7 C -2.2636 -0.8910 -0.0090 C.3 1 UNL111 -0.4361 8 H 0.6913 -1.0339 -1.5197 H 1 UNL111 0.1342 9 H 0.2733 -1.8008 0.0152 H 1 UNL111 0.1367 10 H -1.4181 0.2459 -1.6451 H 1 UNL111 0.1343 11 H -1.9690 1.2318 -0.2897 H 1 UNL111 0.1359 12 H 0.0851 2.5120 -0.3837 H 1 UNL111 0.1421 13 H 0.7442 1.5251 -1.6956 H 1 UNL111 0.1427 14 H 1.6707 1.7623 -0.2113 H 1 UNL111 0.1464 15 H -0.6687 1.3123 1.8511 H 1 UNL111 0.1424 16 H 0.9897 0.7095 1.9232 H 1 UNL111 0.1435 17 H -0.3610 -0.4209 2.0153 H 1 UNL111 0.1440 18 H 2.7950 -0.0912 -0.4775 H 1 UNL111 0.1423 19 H 2.7331 -1.8495 -0.3291 H 1 UNL111 0.1377 20 H 2.3641 -0.8329 1.0686 H 1 UNL111 0.1426 21 H -1.8280 -1.8523 -0.3018 H 1 UNL111 0.1413 22 H -3.2876 -0.8646 -0.3991 H 1 UNL111 0.1391 23 H -2.3287 -0.8763 1.0847 H 1 UNL111 0.1439 @BOND 1 13 4 1 2 10 3 1 3 8 2 1 4 4 12 1 5 4 14 1 6 4 1 1 7 3 11 1 8 3 7 1 9 3 1 1 10 18 6 1 11 2 6 1 12 2 1 1 13 2 9 1 14 22 7 1 15 19 6 1 16 21 7 1 17 6 20 1 18 7 23 1 19 1 5 1 20 5 15 1 21 5 16 1 22 5 17 1