@MOLECULE (E)-3,3,6,6-tetramethyloct-4-ene 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.1021 -0.9659 -0.0063 C.3 1 UNL11111111 -0.4348 2 C 2.6012 -0.9523 -0.2884 C.3 1 UNL11111111 -0.2678 3 C 1.9212 0.4101 0.0010 C.3 1 UNL11111111 0.1000 4 C 2.0537 0.7846 1.4856 C.3 1 UNL11111111 -0.4557 5 C 2.5501 1.5277 -0.8505 C.3 1 UNL11111111 -0.4594 6 C 0.4709 0.2605 -0.3944 C.2 1 UNL11111111 -0.1933 7 C -0.4710 -0.2603 0.3947 C.2 1 UNL11111111 -0.1933 8 C -1.9211 -0.4103 -0.0013 C.3 1 UNL11111111 0.1000 9 C -2.0538 -0.7845 -1.4860 C.3 1 UNL11111111 -0.4556 10 C -2.5501 -1.5275 0.8506 C.3 1 UNL11111111 -0.4594 11 C -2.6012 0.9520 0.2884 C.3 1 UNL11111111 -0.2679 12 C -4.1021 0.9659 0.0063 C.3 1 UNL11111111 -0.4348 13 H 4.3198 -0.6976 1.0331 H 1 UNL11111111 0.1427 14 H 4.5248 -1.9612 -0.1839 H 1 UNL11111111 0.1379 15 H 4.6403 -0.2619 -0.6500 H 1 UNL11111111 0.1418 16 H 2.4202 -1.2282 -1.3451 H 1 UNL11111111 0.1365 17 H 2.1022 -1.7354 0.3152 H 1 UNL11111111 0.1382 18 H 3.0832 1.0586 1.7375 H 1 UNL11111111 0.1441 19 H 1.4145 1.6396 1.7318 H 1 UNL11111111 0.1467 20 H 1.7679 -0.0462 2.1384 H 1 UNL11111111 0.1435 21 H 2.5572 1.2666 -1.9132 H 1 UNL11111111 0.1428 22 H 1.9958 2.4655 -0.7371 H 1 UNL11111111 0.1453 23 H 3.5855 1.7215 -0.5528 H 1 UNL11111111 0.1449 24 H 0.2449 0.5969 -1.4045 H 1 UNL11111111 0.1465 25 H -0.2454 -0.5964 1.4050 H 1 UNL11111111 0.1465 26 H -1.4149 -1.6395 -1.7326 H 1 UNL11111111 0.1467 27 H -3.0835 -1.0582 -1.7377 H 1 UNL11111111 0.1441 28 H -1.7681 0.0464 -2.1389 H 1 UNL11111111 0.1435 29 H -2.5566 -1.2660 1.9133 H 1 UNL11111111 0.1428 30 H -3.5856 -1.7211 0.5535 H 1 UNL11111111 0.1449 31 H -1.9960 -2.4655 0.7376 H 1 UNL11111111 0.1453 32 H -2.4202 1.2274 1.3453 H 1 UNL11111111 0.1365 33 H -2.1021 1.7352 -0.3147 H 1 UNL11111111 0.1382 34 H -4.5245 1.9612 0.1842 H 1 UNL11111111 0.1379 35 H -4.3199 0.6977 -1.0331 H 1 UNL11111111 0.1427 36 H -4.6404 0.2618 0.6500 H 1 UNL11111111 0.1418 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 7 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 4 18 1 18 4 19 1 19 4 20 1 20 5 21 1 21 5 22 1 22 5 23 1 23 6 24 1 24 7 25 1 25 9 26 1 26 9 27 1 27 9 28 1 28 10 29 1 29 10 30 1 30 10 31 1 31 11 32 1 32 11 33 1 33 12 34 1 34 12 35 1 35 12 36 1