@MOLECULE (9z,12r)-12-methyloxacyclododec-9-en-2-one 34 34 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3445 -0.8535 -0.5080 O.3 1 UNL1111111111 -0.4518 2 O -0.5300 -1.8262 1.3448 O.2 1 UNL1111111111 -0.5298 3 C 2.3236 0.3356 -0.6926 C.3 1 UNL1111111111 -0.2734 4 C 2.3336 -0.7728 0.3654 C.3 1 UNL1111111111 -0.2762 5 C 2.5186 1.7197 -0.0570 C.3 1 UNL1111111111 -0.2616 6 C 1.9534 -2.1442 -0.2089 C.3 1 UNL1111111111 -0.2486 7 C 1.2408 2.2177 0.6411 C.3 1 UNL1111111111 -0.2770 8 C 0.5443 -2.1801 -0.8137 C.3 1 UNL1111111111 -0.3489 9 C -2.3205 -0.1372 0.2650 C.3 1 UNL1111111111 0.1682 10 C -1.6581 1.1402 0.8064 C.3 1 UNL1111111111 -0.3307 11 C 0.1504 2.4635 -0.3494 C.2 1 UNL1111111111 -0.1627 12 C -1.1000 1.9968 -0.2799 C.2 1 UNL1111111111 -0.1553 13 C -0.4583 -1.6315 0.1578 C.2 1 UNL1111111111 0.6259 14 C -3.4505 0.1130 -0.7278 C.3 1 UNL1111111111 -0.4727 15 H 1.3665 0.3240 -1.2516 H 1 UNL1111111111 0.1498 16 H 3.1144 0.1485 -1.4414 H 1 UNL1111111111 0.1316 17 H 1.6430 -0.5135 1.1939 H 1 UNL1111111111 0.1525 18 H 3.3356 -0.8361 0.8316 H 1 UNL1111111111 0.1375 19 H 2.8243 2.4445 -0.8349 H 1 UNL1111111111 0.1342 20 H 3.3512 1.6892 0.6701 H 1 UNL1111111111 0.1352 21 H 2.0222 -2.9007 0.6011 H 1 UNL1111111111 0.1511 22 H 2.6883 -2.4470 -0.9792 H 1 UNL1111111111 0.1408 23 H 1.4570 3.1582 1.1905 H 1 UNL1111111111 0.1447 24 H 0.9356 1.4889 1.4192 H 1 UNL1111111111 0.1476 25 H 0.2624 -3.2218 -1.0761 H 1 UNL1111111111 0.1727 26 H 0.5139 -1.6114 -1.7683 H 1 UNL1111111111 0.1766 27 H -2.6562 -0.7859 1.1080 H 1 UNL1111111111 0.1397 28 H -0.8720 0.8424 1.5354 H 1 UNL1111111111 0.1643 29 H -2.3991 1.7199 1.3962 H 1 UNL1111111111 0.1581 30 H 0.4550 3.0889 -1.1910 H 1 UNL1111111111 0.1412 31 H -1.8184 2.2404 -1.0650 H 1 UNL1111111111 0.1429 32 H -3.0636 0.4973 -1.6817 H 1 UNL1111111111 0.1645 33 H -3.9883 -0.8151 -0.9565 H 1 UNL1111111111 0.1552 34 H -4.1701 0.8393 -0.3369 H 1 UNL1111111111 0.1544 @BOND 1 1 9 1 2 1 13 1 3 2 13 2 4 3 4 1 5 3 5 1 6 3 15 1 7 3 16 1 8 4 6 1 9 4 17 1 10 4 18 1 11 5 7 1 12 5 19 1 13 5 20 1 14 6 8 1 15 6 21 1 16 6 22 1 17 7 11 1 18 7 23 1 19 7 24 1 20 8 13 1 21 8 25 1 22 8 26 1 23 9 10 1 24 9 14 1 25 9 27 1 26 10 12 1 27 10 28 1 28 10 29 1 29 11 12 2 30 11 30 1 31 12 31 1 32 14 32 1 33 14 33 1 34 14 34 1