@MOLECULE (3z,5s,6s,12r)-5,6-dihydroxy-12-methyloxacyclododec-3-en-2-one 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2715 0.6660 0.3507 O.3 1 UNL1111111111 -0.4669 2 O 3.1723 0.3537 -1.0384 O.3 1 UNL1111111111 -0.5493 3 O 2.6601 0.4034 1.5996 O.3 1 UNL1111111111 -0.5659 4 O -1.7223 1.9412 -1.4383 O.2 1 UNL1111111111 -0.5063 5 C 0.8542 -2.3986 0.1141 C.3 1 UNL1111111111 -0.2642 6 C -0.3172 -2.2064 -0.8578 C.3 1 UNL1111111111 -0.2692 7 C 2.1339 -1.7017 -0.3563 C.3 1 UNL1111111111 -0.3295 8 C -1.6604 -2.5471 -0.1983 C.3 1 UNL1111111111 -0.2670 9 C -2.1303 -1.4675 0.7852 C.3 1 UNL1111111111 -0.3129 10 C 1.9644 -0.1913 -0.5644 C.3 1 UNL1111111111 0.1545 11 C -2.4445 -0.1355 0.0924 C.3 1 UNL1111111111 0.1740 12 C 1.5380 0.5359 0.7398 C.3 1 UNL1111111111 0.0581 13 C -3.6347 0.5878 0.7115 C.3 1 UNL1111111111 -0.4964 14 C 1.2758 1.9839 0.4666 C.2 1 UNL1111111111 -0.0833 15 C 0.1540 2.4787 -0.0610 C.2 1 UNL1111111111 -0.2894 16 C -1.0243 1.7043 -0.4831 C.2 1 UNL1111111111 0.6129 17 H 0.5784 -2.0340 1.1227 H 1 UNL1111111111 0.1384 18 H 1.0539 -3.4803 0.2446 H 1 UNL1111111111 0.1369 19 H -0.3479 -1.1660 -1.2341 H 1 UNL1111111111 0.1462 20 H -0.1650 -2.8384 -1.7531 H 1 UNL1111111111 0.1378 21 H 2.9442 -1.8786 0.3801 H 1 UNL1111111111 0.1562 22 H 2.4892 -2.1487 -1.3062 H 1 UNL1111111111 0.1564 23 H -2.4287 -2.6972 -0.9816 H 1 UNL1111111111 0.1366 24 H -1.5835 -3.5176 0.3287 H 1 UNL1111111111 0.1375 25 H 1.2518 0.0397 -1.3906 H 1 UNL1111111111 0.1488 26 H -3.0232 -1.8287 1.3300 H 1 UNL1111111111 0.1466 27 H -1.3614 -1.3011 1.5680 H 1 UNL1111111111 0.1591 28 H -2.5638 -0.2478 -1.0087 H 1 UNL1111111111 0.1458 29 H 0.6692 0.0260 1.2198 H 1 UNL1111111111 0.1612 30 H -3.4734 0.7908 1.7766 H 1 UNL1111111111 0.1575 31 H -3.8021 1.5554 0.2165 H 1 UNL1111111111 0.1684 32 H -4.5565 0.0057 0.6103 H 1 UNL1111111111 0.1540 33 H 2.1202 2.6398 0.7115 H 1 UNL1111111111 0.1707 34 H 3.8482 0.3540 -0.3258 H 1 UNL1111111111 0.3311 35 H 0.0401 3.5495 -0.2657 H 1 UNL1111111111 0.1893 36 H 2.4696 0.7856 2.4774 H 1 UNL1111111111 0.3225 @BOND 1 1 11 1 2 1 16 1 3 2 10 1 4 2 34 1 5 3 12 1 6 3 36 1 7 4 16 2 8 5 6 1 9 5 7 1 10 5 17 1 11 5 18 1 12 6 8 1 13 6 19 1 14 6 20 1 15 7 10 1 16 7 21 1 17 7 22 1 18 8 9 1 19 8 23 1 20 8 24 1 21 9 11 1 22 9 26 1 23 9 27 1 24 10 12 1 25 10 25 1 26 11 13 1 27 11 28 1 28 12 14 1 29 12 29 1 30 13 30 1 31 13 31 1 32 13 32 1 33 14 15 2 34 14 33 1 35 15 16 1 36 15 35 1