@MOLECULE 4-cyano-4'-pentyloxybiphenyl 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8676 0.9872 0.6270 O.3 1 UNL1111111111 -0.3411 2 N 7.8915 -0.7590 -0.6184 N.1 1 UNL1111111111 -0.2431 3 C -6.0287 -0.7223 -0.2262 C.3 1 UNL1111111111 -0.2689 4 C -5.0720 0.4367 0.0723 C.3 1 UNL1111111111 -0.2965 5 C -7.3701 -0.1943 -0.7419 C.3 1 UNL1111111111 -0.2474 6 C -3.7475 -0.1422 0.5616 C.3 1 UNL1111111111 -0.0446 7 C -8.3153 -1.3514 -1.0597 C.3 1 UNL1111111111 -0.4405 8 C -1.5430 0.7053 0.5692 C.ar 1 UNL1111111111 0.2703 9 C 1.2001 0.3363 0.2629 C.ar 1 UNL1111111111 -0.1119 10 C 2.6368 0.1158 0.0718 C.ar 1 UNL1111111111 0.0627 11 C -0.9938 -0.5529 0.8263 C.ar 1 UNL1111111111 -0.3039 12 C -0.7351 1.7972 0.2178 C.ar 1 UNL1111111111 -0.2532 13 C 0.3755 -0.7229 0.6482 C.ar 1 UNL1111111111 -0.0694 14 C 0.6296 1.6049 0.0698 C.ar 1 UNL1111111111 -0.0724 15 C 3.3107 -0.8208 0.8679 C.ar 1 UNL1111111111 -0.1815 16 C 3.3531 0.8261 -0.9009 C.ar 1 UNL1111111111 -0.1789 17 C 4.6670 -1.0601 0.6881 C.ar 1 UNL1111111111 -0.0941 18 C 4.7145 0.6040 -1.0777 C.ar 1 UNL1111111111 -0.0939 19 C 5.3702 -0.3436 -0.2853 C.ar 1 UNL1111111111 -0.0600 20 C 6.7588 -0.5754 -0.4658 C.1 1 UNL1111111111 0.1139 21 H -6.1866 -1.3326 0.6823 H 1 UNL1111111111 0.1381 22 H -5.5792 -1.4037 -0.9749 H 1 UNL1111111111 0.1392 23 H -5.4998 1.1248 0.8270 H 1 UNL1111111111 0.1540 24 H -4.9079 1.0557 -0.8308 H 1 UNL1111111111 0.1579 25 H -7.8283 0.4765 0.0097 H 1 UNL1111111111 0.1364 26 H -7.2112 0.4273 -1.6453 H 1 UNL1111111111 0.1370 27 H -3.3524 -0.9008 -0.1434 H 1 UNL1111111111 0.1312 28 H -3.8181 -0.5742 1.5704 H 1 UNL1111111111 0.1290 29 H -7.8998 -2.0134 -1.8280 H 1 UNL1111111111 0.1430 30 H -8.5141 -1.9640 -0.1685 H 1 UNL1111111111 0.1429 31 H -9.2806 -0.9881 -1.4285 H 1 UNL1111111111 0.1422 32 H -1.6026 -1.3840 1.1640 H 1 UNL1111111111 0.1652 33 H -1.1910 2.7716 0.0532 H 1 UNL1111111111 0.1750 34 H 0.8031 -1.7139 0.8041 H 1 UNL1111111111 0.1534 35 H 1.2647 2.4515 -0.2023 H 1 UNL1111111111 0.1570 36 H 2.7692 -1.3644 1.6404 H 1 UNL1111111111 0.1632 37 H 2.8390 1.5489 -1.5345 H 1 UNL1111111111 0.1643 38 H 5.1822 -1.7960 1.3059 H 1 UNL1111111111 0.1627 39 H 5.2701 1.1648 -1.8316 H 1 UNL1111111111 0.1630 @BOND 1 1 6 1 2 1 8 1 3 2 20 3 4 3 4 1 5 3 5 1 6 3 21 1 7 3 22 1 8 4 6 1 9 4 23 1 10 4 24 1 11 5 7 1 12 5 25 1 13 5 26 1 14 6 27 1 15 6 28 1 16 7 29 1 17 7 30 1 18 7 31 1 19 8 11 ar 20 8 12 ar 21 9 10 1 22 9 13 ar 23 9 14 ar 24 10 15 ar 25 10 16 ar 26 11 13 ar 27 11 32 1 28 12 14 ar 29 12 33 1 30 13 34 1 31 14 35 1 32 15 17 ar 33 15 36 1 34 16 18 ar 35 16 37 1 36 17 19 ar 37 17 38 1 38 18 19 ar 39 18 39 1 40 19 20 1