@MOLECULE 1-cyclopentyl-4-methyl-pentan-1-one 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.3495 0.4727 -1.1608 C.3 1 UNL111 -0.2570 2 C -3.8515 0.5964 -0.8432 C.3 1 UNL111 -0.2603 3 C -4.0540 0.0607 0.5894 C.3 1 UNL111 -0.2626 4 C -2.6685 -0.3631 1.1082 C.3 1 UNL111 -0.2583 5 C -1.6528 0.3645 0.2101 C.3 1 UNL111 -0.2185 6 C -0.3564 -0.4059 0.0771 C.2 1 UNL111 0.4595 7 O -0.3272 -1.6102 0.0766 O.2 1 UNL111 -0.4526 8 C 0.8931 0.4260 -0.0694 C.3 1 UNL111 -0.3876 9 C 2.1415 -0.4590 -0.1145 C.3 1 UNL111 -0.2638 10 C 3.4265 0.3695 -0.2911 C.3 1 UNL111 -0.0613 11 C 3.7204 1.2134 0.9556 C.3 1 UNL111 -0.4542 12 C 4.6065 -0.5714 -0.5680 C.3 1 UNL111 -0.4571 13 H -2.1584 -0.4316 -1.7675 H 1 UNL111 0.1487 14 H -1.9806 1.3284 -1.7442 H 1 UNL111 0.1315 15 H -4.1808 1.6457 -0.9162 H 1 UNL111 0.1313 16 H -4.4563 0.0313 -1.5699 H 1 UNL111 0.1350 17 H -4.4944 0.8360 1.2372 H 1 UNL111 0.1310 18 H -4.7562 -0.7878 0.6030 H 1 UNL111 0.1355 19 H -2.5302 -0.1137 2.1700 H 1 UNL111 0.1328 20 H -2.5407 -1.4604 1.0251 H 1 UNL111 0.1620 21 H -1.4632 1.3832 0.6149 H 1 UNL111 0.1483 22 H 0.8217 1.0426 -0.9878 H 1 UNL111 0.1643 23 H 0.9651 1.1455 0.7709 H 1 UNL111 0.1647 24 H 2.2023 -1.0745 0.8040 H 1 UNL111 0.1517 25 H 2.0460 -1.1923 -0.9407 H 1 UNL111 0.1522 26 H 3.3002 1.0514 -1.1658 H 1 UNL111 0.1264 27 H 3.7786 0.5905 1.8549 H 1 UNL111 0.1467 28 H 4.6754 1.7413 0.8609 H 1 UNL111 0.1408 29 H 2.9465 1.9685 1.1234 H 1 UNL111 0.1381 30 H 4.4448 -1.1614 -1.4764 H 1 UNL111 0.1438 31 H 5.5383 -0.0118 -0.7002 H 1 UNL111 0.1417 32 H 4.7601 -1.2741 0.2585 H 1 UNL111 0.1474 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 1 5 1 6 5 6 1 7 6 7 2 8 6 8 1 9 8 9 1 10 9 10 1 11 10 11 1 12 10 12 1 13 1 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 5 21 1 22 8 22 1 23 8 23 1 24 9 24 1 25 9 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 12 32 1