@MOLECULE dexoxadrol 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3695 0.1165 0.3736 O.3 1 UNL1111111111 -0.3993 2 O 0.5333 0.0835 -1.7406 O.3 1 UNL1111111111 -0.4296 3 N -3.1024 0.3989 1.2164 N.3 1 UNL1111111111 -0.5216 4 C -2.6853 0.0272 -0.1531 C.3 1 UNL1111111111 0.0284 5 C -1.3474 0.7296 -0.4641 C.3 1 UNL1111111111 0.0539 6 C -3.7454 0.4140 -1.2127 C.3 1 UNL1111111111 -0.3326 7 C -5.0946 -0.2238 -0.8579 C.3 1 UNL1111111111 -0.2545 8 C -0.8183 0.4944 -1.8927 C.3 1 UNL1111111111 -0.0728 9 C 0.8437 0.0081 -0.3520 C.3 1 UNL1111111111 0.4282 10 C -5.5213 0.1649 0.5621 C.3 1 UNL1111111111 -0.3205 11 C -4.4046 -0.2055 1.5585 C.3 1 UNL1111111111 -0.1030 12 C 1.4610 -1.3337 -0.0671 C.ar 1 UNL1111111111 -0.0693 13 C 1.7649 1.1484 0.0074 C.ar 1 UNL1111111111 -0.0911 14 C 2.6643 1.6384 -0.9375 C.ar 1 UNL1111111111 -0.1265 15 C 1.1828 -1.9914 1.1295 C.ar 1 UNL1111111111 -0.1187 16 C 1.7141 1.6928 1.2893 C.ar 1 UNL1111111111 -0.1234 17 C 2.3268 -1.8972 -1.0040 C.ar 1 UNL1111111111 -0.1268 18 C 3.5225 2.6806 -0.5938 C.ar 1 UNL1111111111 -0.1588 19 C 1.7858 -3.2200 1.3926 C.ar 1 UNL1111111111 -0.1587 20 C 2.5755 2.7336 1.6289 C.ar 1 UNL1111111111 -0.1580 21 C 2.9269 -3.1250 -0.7354 C.ar 1 UNL1111111111 -0.1575 22 C 3.4792 3.2261 0.6885 C.ar 1 UNL1111111111 -0.1409 23 C 2.6582 -3.7843 0.4634 C.ar 1 UNL1111111111 -0.1399 24 H -2.5222 -1.0834 -0.1592 H 1 UNL1111111111 0.1651 25 H -1.3683 1.8063 -0.1952 H 1 UNL1111111111 0.1354 26 H -3.4316 0.0822 -2.2178 H 1 UNL1111111111 0.1420 27 H -3.8483 1.5122 -1.2677 H 1 UNL1111111111 0.1412 28 H -5.8653 0.0876 -1.5868 H 1 UNL1111111111 0.1338 29 H -5.0250 -1.3255 -0.9423 H 1 UNL1111111111 0.1406 30 H -1.3209 -0.3274 -2.4283 H 1 UNL1111111111 0.1422 31 H -0.7967 1.4046 -2.5108 H 1 UNL1111111111 0.1399 32 H -3.1350 1.4107 1.3271 H 1 UNL1111111111 0.2500 33 H -5.7365 1.2469 0.6146 H 1 UNL1111111111 0.1384 34 H -6.4612 -0.3448 0.8359 H 1 UNL1111111111 0.1393 35 H -4.6732 0.1154 2.5871 H 1 UNL1111111111 0.1345 36 H -4.2741 -1.3097 1.5965 H 1 UNL1111111111 0.1454 37 H 2.6902 1.2116 -1.9400 H 1 UNL1111111111 0.1618 38 H 0.4925 -1.5493 1.8507 H 1 UNL1111111111 0.1722 39 H 0.9983 1.3068 2.0172 H 1 UNL1111111111 0.1693 40 H 2.5282 -1.3780 -1.9404 H 1 UNL1111111111 0.1603 41 H 4.2250 3.0690 -1.3272 H 1 UNL1111111111 0.1477 42 H 1.5755 -3.7373 2.3259 H 1 UNL1111111111 0.1483 43 H 2.5423 3.1605 2.6287 H 1 UNL1111111111 0.1485 44 H 3.6067 -3.5667 -1.4602 H 1 UNL1111111111 0.1484 45 H 3.1311 -4.7410 0.6728 H 1 UNL1111111111 0.1441 46 H 4.1527 4.0373 0.9551 H 1 UNL1111111111 0.1444 @BOND 1 1 5 1 2 1 9 1 3 2 8 1 4 2 9 1 5 3 4 1 6 3 11 1 7 3 32 1 8 4 5 1 9 4 6 1 10 4 24 1 11 5 8 1 12 5 25 1 13 6 7 1 14 6 26 1 15 6 27 1 16 7 10 1 17 7 28 1 18 7 29 1 19 8 30 1 20 8 31 1 21 9 12 1 22 9 13 1 23 10 11 1 24 10 33 1 25 10 34 1 26 11 35 1 27 11 36 1 28 12 15 ar 29 12 17 ar 30 13 14 ar 31 13 16 ar 32 14 18 ar 33 14 37 1 34 15 19 ar 35 15 38 1 36 16 20 ar 37 16 39 1 38 17 21 ar 39 17 40 1 40 18 22 ar 41 18 41 1 42 19 23 ar 43 19 42 1 44 20 22 ar 45 20 43 1 46 21 23 ar 47 21 44 1 48 22 46 1 49 23 45 1