@MOLECULE 2,2,8-trimethylnon-4-yne 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.9780 0.0063 -0.2968 C.3 1 UNL1111111 -0.0600 2 C -5.0120 -1.0577 0.0955 C.3 1 UNL1111111 -0.4564 3 C -4.3497 1.3500 0.3418 C.3 1 UNL1111111 -0.4532 4 C -2.5761 -0.4499 0.1468 C.3 1 UNL1111111 -0.2746 5 C -1.4710 0.3981 -0.5114 C.3 1 UNL1111111 -0.2321 6 C -0.1717 -0.0634 -0.1210 C.1 1 UNL1111111 -0.1254 7 C 0.9310 -0.4474 0.2040 C.1 1 UNL1111111 -0.0916 8 C 2.2387 -0.8953 0.5786 C.3 1 UNL1111111 -0.2686 9 C 3.3598 0.0290 0.0219 C.3 1 UNL1111111 0.1448 10 C 3.1888 1.4476 0.5819 C.3 1 UNL1111111 -0.4666 11 C 4.7198 -0.5358 0.4640 C.3 1 UNL1111111 -0.4712 12 C 3.2940 0.0609 -1.5111 C.3 1 UNL1111111 -0.4667 13 H -3.9875 0.1193 -1.4077 H 1 UNL1111111 0.1287 14 H -6.0212 -0.7618 -0.2096 H 1 UNL1111111 0.1418 15 H -4.7947 -2.0207 -0.3786 H 1 UNL1111111 0.1422 16 H -5.0301 -1.2177 1.1787 H 1 UNL1111111 0.1453 17 H -5.3493 1.6729 0.0318 H 1 UNL1111111 0.1407 18 H -4.3484 1.2868 1.4356 H 1 UNL1111111 0.1455 19 H -3.6468 2.1400 0.0568 H 1 UNL1111111 0.1414 20 H -2.4860 -0.3970 1.2472 H 1 UNL1111111 0.1448 21 H -2.4247 -1.5144 -0.1156 H 1 UNL1111111 0.1431 22 H -1.5803 0.3646 -1.6207 H 1 UNL1111111 0.1554 23 H -1.6018 1.4704 -0.2337 H 1 UNL1111111 0.1570 24 H 2.3276 -0.9498 1.6884 H 1 UNL1111111 0.1589 25 H 2.4097 -1.9357 0.2170 H 1 UNL1111111 0.1587 26 H 3.2363 1.4565 1.6754 H 1 UNL1111111 0.1442 27 H 3.9667 2.1206 0.2086 H 1 UNL1111111 0.1438 28 H 2.2187 1.8708 0.2942 H 1 UNL1111111 0.1531 29 H 4.8787 -1.5488 0.0811 H 1 UNL1111111 0.1441 30 H 5.5421 0.0862 0.0941 H 1 UNL1111111 0.1473 31 H 4.8040 -0.5739 1.5545 H 1 UNL1111111 0.1441 32 H 2.3261 0.4431 -1.8574 H 1 UNL1111111 0.1531 33 H 4.0724 0.7057 -1.9307 H 1 UNL1111111 0.1439 34 H 3.4213 -0.9382 -1.9396 H 1 UNL1111111 0.1442 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 3 7 7 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 2 16 1 16 3 17 1 17 3 18 1 18 3 19 1 19 4 20 1 20 4 21 1 21 5 22 1 22 5 23 1 23 8 24 1 24 8 25 1 25 10 26 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 11 31 1 31 12 32 1 32 12 33 1 33 12 34 1