@MOLECULE N,2,2-trimethylpentanamide 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.8092 -0.8786 0.0024 C.3 1 UNL111 -0.4391 2 C 2.7088 0.1844 -0.0046 C.3 1 UNL111 -0.2444 3 C 1.3294 -0.4830 0.0005 C.3 1 UNL111 -0.2801 4 C 0.1482 0.5104 0.0008 C.3 1 UNL111 0.0161 5 C 0.1635 1.3767 1.2637 C.3 1 UNL111 -0.4565 6 C 0.1645 1.3781 -1.2611 C.3 1 UNL111 -0.4564 7 C -1.1351 -0.3409 -0.0001 C.2 1 UNL111 0.5541 8 O -1.1202 -1.5560 -0.0009 O.2 1 UNL111 -0.5451 9 N -2.3431 0.3254 -0.0008 N.am 1 UNL111 -0.5949 10 C -3.5800 -0.4577 -0.0001 C.3 1 UNL111 -0.2142 11 H 3.7427 -1.5174 0.8906 H 1 UNL111 0.1452 12 H 3.7402 -1.5306 -0.8761 H 1 UNL111 0.1452 13 H 4.8040 -0.4216 -0.0025 H 1 UNL111 0.1368 14 H 2.8214 0.8454 0.8747 H 1 UNL111 0.1314 15 H 2.8214 0.8329 -0.8931 H 1 UNL111 0.1314 16 H 1.2351 -1.1580 -0.8752 H 1 UNL111 0.1578 17 H 1.2400 -1.1537 0.8799 H 1 UNL111 0.1576 18 H 1.0812 1.9752 1.3207 H 1 UNL111 0.1565 19 H -0.6767 2.0759 1.3020 H 1 UNL111 0.1404 20 H 0.1229 0.7580 2.1696 H 1 UNL111 0.1573 21 H 0.1247 0.7603 -2.1677 H 1 UNL111 0.1574 22 H -0.6758 2.0773 -1.2995 H 1 UNL111 0.1404 23 H 1.0823 1.9766 -1.3166 H 1 UNL111 0.1564 24 H -2.4169 1.3217 0.0020 H 1 UNL111 0.3057 25 H -3.6156 -1.1278 -0.8805 H 1 UNL111 0.1544 26 H -3.6304 -1.1038 0.8971 H 1 UNL111 0.1532 27 H -4.4587 0.2025 -0.0167 H 1 UNL111 0.1335 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 2 8 7 9 am 9 9 10 1 10 1 11 1 11 1 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 3 16 1 16 3 17 1 17 5 18 1 18 5 19 1 19 5 20 1 20 6 21 1 21 6 22 1 22 6 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1