@MOLECULE decussatin 36 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.5287 -1.8180 0.1793 O.2 1 UNL1 -0.2518 2 O 2.9767 1.5149 -0.1862 O.3 1 UNL1 -0.3219 3 O 4.7992 -0.5209 0.1426 O.3 1 UNL1 -0.3183 4 O 0.3481 2.1871 0.0006 O.2 1 UNL1 -0.5219 5 O -2.2357 2.6692 -0.2313 O.3 1 UNL1 -0.4612 6 O -5.0621 -1.1608 -0.0332 O.3 1 UNL1 -0.2957 7 C 1.1468 -0.0401 0.0704 C.ar 1 UNL1 -0.3169 8 C -1.2581 0.4877 -0.0265 C.ar 1 UNL1 -0.4979 9 C 0.7720 -1.3873 0.1472 C.ar 1 UNL1 0.2650 10 C -1.5194 -0.8881 0.0669 C.ar 1 UNL1 0.3851 11 C 0.1044 0.9896 0.0098 C.ar 1 UNL1 0.5615 12 C 2.5195 0.2507 0.0262 C.ar 1 UNL1 0.2672 13 C -2.3786 1.3461 -0.1417 C.ar 1 UNL1 0.4802 14 C 1.6973 -2.4332 0.2006 C.ar 1 UNL1 -0.2575 15 C 3.4574 -0.7937 0.0669 C.ar 1 UNL1 0.0529 16 C -2.7973 -1.4230 0.0649 C.ar 1 UNL1 -0.4342 17 C 3.0513 -2.1260 0.1551 C.ar 1 UNL1 -0.0907 18 C -3.8751 -0.5229 -0.0487 C.ar 1 UNL1 0.3947 19 C -3.6894 0.8541 -0.1613 C.ar 1 UNL1 -0.4818 20 C 3.0312 2.3005 1.0083 C.3 1 UNL1 -0.1764 21 C 5.3704 -0.2375 -1.1342 C.3 1 UNL1 -0.1986 22 C -6.2433 -0.3700 -0.0846 C.3 1 UNL1 -0.2034 23 H 1.3563 -3.4639 0.2740 H 1 UNL1 0.1846 24 H -2.9746 -2.4904 0.1479 H 1 UNL1 0.2003 25 H 3.8048 -2.9153 0.1935 H 1 UNL1 0.1738 26 H -4.5151 1.5483 -0.2578 H 1 UNL1 0.1940 27 H -1.2428 2.9260 -0.1900 H 1 UNL1 0.3862 28 H 3.8671 1.9562 1.6235 H 1 UNL1 0.1296 29 H 2.0858 2.2724 1.5577 H 1 UNL1 0.1459 30 H 3.2044 3.3105 0.6180 H 1 UNL1 0.1534 31 H 4.8511 0.5905 -1.6276 H 1 UNL1 0.1449 32 H 5.3588 -1.1364 -1.7554 H 1 UNL1 0.1254 33 H 6.3965 0.0500 -0.8777 H 1 UNL1 0.1460 34 H -6.2983 0.1870 -1.0262 H 1 UNL1 0.1413 35 H -6.3011 0.2985 0.7803 H 1 UNL1 0.1412 36 H -7.0337 -1.1326 -0.0388 H 1 UNL1 0.1550 @BOND 1 32 21 1 2 31 21 1 3 21 33 1 4 21 3 1 5 34 22 1 6 26 19 1 7 5 27 1 8 5 13 1 9 2 12 1 10 2 20 1 11 19 13 ar 12 19 18 ar 13 13 8 ar 14 22 36 1 15 22 6 1 16 22 35 1 17 18 6 1 18 18 16 ar 19 8 11 ar 20 8 10 ar 21 4 11 2 22 11 7 ar 23 12 15 ar 24 12 7 ar 25 16 10 ar 26 16 24 1 27 15 3 1 28 15 17 ar 29 10 1 ar 30 7 9 ar 31 9 1 ar 32 9 14 ar 33 17 25 1 34 17 14 ar 35 14 23 1 36 30 20 1 37 20 29 1 38 20 28 1