@MOLECULE 1,6-hexanediol dibenzoate 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2355 0.3039 0.0211 O.3 1 UNL1111111111 -0.4330 2 O 4.2355 -0.3076 0.0104 O.3 1 UNL1111111111 -0.4332 3 O -5.3165 2.2676 -0.0192 O.2 1 UNL1111111111 -0.5071 4 O 5.3211 -2.2688 -0.0209 O.2 1 UNL1111111111 -0.5071 5 C -0.5369 0.5460 0.0422 C.3 1 UNL1111111111 -0.2662 6 C 0.5369 -0.5492 0.0452 C.3 1 UNL1111111111 -0.2662 7 C -1.9364 -0.0770 0.0441 C.3 1 UNL1111111111 -0.2993 8 C 1.9371 0.0707 0.0384 C.3 1 UNL1111111111 -0.2993 9 C -2.9944 1.0250 0.0298 C.3 1 UNL1111111111 -0.0100 10 C 2.9953 -1.0309 0.0152 C.3 1 UNL1111111111 -0.0098 11 C -5.3605 1.0617 -0.0046 C.2 1 UNL1111111111 0.6028 12 C 5.3623 -1.0628 -0.0089 C.2 1 UNL1111111111 0.6029 13 C -6.5697 0.2199 -0.0113 C.ar 1 UNL1111111111 -0.1487 14 C 6.5698 -0.2184 -0.0124 C.ar 1 UNL1111111111 -0.1486 15 C -7.8110 0.8612 -0.0387 C.ar 1 UNL1111111111 -0.0762 16 C 7.8126 -0.8572 -0.0294 C.ar 1 UNL1111111111 -0.0762 17 C -6.4907 -1.1734 0.0089 C.ar 1 UNL1111111111 -0.0756 18 C 6.4877 1.1748 0.0004 C.ar 1 UNL1111111111 -0.0757 19 C -8.9773 0.1008 -0.0461 C.ar 1 UNL1111111111 -0.1770 20 C 8.9772 -0.0943 -0.0333 C.ar 1 UNL1111111111 -0.1770 21 C -7.6614 -1.9285 0.0014 C.ar 1 UNL1111111111 -0.1793 22 C 7.6568 1.9324 -0.0036 C.ar 1 UNL1111111111 -0.1793 23 C -8.9017 -1.2917 -0.0261 C.ar 1 UNL1111111111 -0.0983 24 C 8.8986 1.2980 -0.0203 C.ar 1 UNL1111111111 -0.0983 25 H -0.4104 1.2033 0.9238 H 1 UNL1111111111 0.1409 26 H -0.4106 1.1976 -0.8438 H 1 UNL1111111111 0.1411 27 H 0.4066 -1.2073 -0.8352 H 1 UNL1111111111 0.1410 28 H 0.4112 -1.1990 0.9323 H 1 UNL1111111111 0.1409 29 H -2.0772 -0.7247 0.9312 H 1 UNL1111111111 0.1535 30 H -2.0720 -0.7413 -0.8318 H 1 UNL1111111111 0.1539 31 H 2.0848 0.7164 0.9262 H 1 UNL1111111111 0.1537 32 H 2.0677 0.7370 -0.8365 H 1 UNL1111111111 0.1538 33 H -2.9654 1.6644 0.9290 H 1 UNL1111111111 0.1367 34 H -2.9473 1.6578 -0.8733 H 1 UNL1111111111 0.1371 35 H 2.9675 -1.6774 0.9094 H 1 UNL1111111111 0.1369 36 H 2.9491 -1.6576 -0.8921 H 1 UNL1111111111 0.1369 37 H -7.8572 1.9536 -0.0542 H 1 UNL1111111111 0.1737 38 H 7.8611 -1.9495 -0.0395 H 1 UNL1111111111 0.1737 39 H -5.5178 -1.6687 0.0304 H 1 UNL1111111111 0.1687 40 H 5.5137 1.6681 0.0135 H 1 UNL1111111111 0.1686 41 H -9.9472 0.5941 -0.0676 H 1 UNL1111111111 0.1571 42 H 9.9483 -0.5857 -0.0464 H 1 UNL1111111111 0.1571 43 H -7.6065 -3.0152 0.0171 H 1 UNL1111111111 0.1559 44 H 7.5995 3.0190 0.0063 H 1 UNL1111111111 0.1559 45 H -9.8158 -1.8845 -0.0319 H 1 UNL1111111111 0.1493 46 H 9.8114 1.8928 -0.0234 H 1 UNL1111111111 0.1493 @BOND 1 1 9 1 2 1 11 1 3 2 10 1 4 2 12 1 5 3 11 2 6 4 12 2 7 5 6 1 8 5 7 1 9 5 25 1 10 5 26 1 11 6 8 1 12 6 27 1 13 6 28 1 14 7 9 1 15 7 29 1 16 7 30 1 17 8 10 1 18 8 31 1 19 8 32 1 20 9 33 1 21 9 34 1 22 10 35 1 23 10 36 1 24 11 13 1 25 12 14 1 26 13 15 ar 27 13 17 ar 28 14 16 ar 29 14 18 ar 30 15 19 ar 31 15 37 1 32 16 20 ar 33 16 38 1 34 17 21 ar 35 17 39 1 36 18 22 ar 37 18 40 1 38 19 23 ar 39 19 41 1 40 20 24 ar 41 20 42 1 42 21 23 ar 43 21 43 1 44 22 24 ar 45 22 44 1 46 23 45 1 47 24 46 1