@MOLECULE lumacaftor 51 55 0 0 0 SMALL GASTEIGER @ATOM 1 F -4.4904 3.8510 0.8389 F 1 UNL11 -0.1603 2 F -6.1287 3.3396 -0.4119 F 1 UNL11 -0.1665 3 O -1.3689 -3.6389 0.6044 O.2 1 UNL11 -0.4892 4 O -4.1655 2.3076 -0.7612 O.3 1 UNL11 -0.3063 5 O -5.4753 1.8539 1.1393 O.3 1 UNL11 -0.3066 6 O 6.2688 3.9182 -0.5958 O.3 1 UNL11 -0.5630 7 O 4.8890 3.6632 1.1309 O.2 1 UNL11 -0.4964 8 N -0.2633 -1.8937 -0.3711 N.am 1 UNL11 -0.5504 9 N 1.9192 -1.2029 -0.2015 N.ar 1 UNL11 -0.4458 10 C -2.5493 -2.3710 -1.0470 C.3 1 UNL11 -0.1312 11 C -3.2538 -3.5231 -1.7426 C.3 1 UNL11 -0.2708 12 C -2.4377 -2.5530 -2.5498 C.3 1 UNL11 -0.2984 13 C -3.3363 -1.2700 -0.4514 C.ar 1 UNL11 0.0027 14 C -1.3631 -2.7247 -0.1845 C.2 1 UNL11 0.5977 15 C -3.2754 0.0159 -1.0246 C.ar 1 UNL11 -0.1704 16 C -4.1074 -1.5366 0.6815 C.ar 1 UNL11 -0.1385 17 C -4.0338 0.9779 -0.4056 C.ar 1 UNL11 0.1138 18 C -4.8768 -0.5424 1.3073 C.ar 1 UNL11 -0.1537 19 C -4.8199 0.7054 0.7352 C.ar 1 UNL11 0.1126 20 C 0.9608 -2.0199 0.3127 C.ar 1 UNL11 0.3598 21 C -5.0673 2.8486 0.2024 C.3 1 UNL11 0.6467 22 C 1.1963 -2.8689 1.4068 C.ar 1 UNL11 -0.2666 23 C 3.1359 -1.2041 0.3685 C.ar 1 UNL11 0.1778 24 C 2.4616 -2.8493 1.9829 C.ar 1 UNL11 -0.0777 25 C 3.4573 -2.0111 1.4770 C.ar 1 UNL11 -0.0871 26 C 4.1342 -0.3098 -0.2510 C.ar 1 UNL11 -0.0391 27 C 4.8093 -1.9573 2.0899 C.3 1 UNL11 -0.4338 28 C 4.2988 0.9892 0.2256 C.ar 1 UNL11 -0.0679 29 C 4.9032 -0.7754 -1.3202 C.ar 1 UNL11 -0.0894 30 C 5.2537 1.8164 -0.3710 C.ar 1 UNL11 -0.1453 31 C 5.8520 0.0581 -1.9086 C.ar 1 UNL11 -0.1784 32 C 6.0309 1.3564 -1.4356 C.ar 1 UNL11 -0.0659 33 C 5.4100 3.1784 0.1590 C.2 1 UNL11 0.6417 34 H -4.3396 -3.5167 -1.8140 H 1 UNL11 0.1663 35 H -2.8970 -4.5397 -1.5773 H 1 UNL11 0.1733 36 H -2.9361 -1.8480 -3.2131 H 1 UNL11 0.1686 37 H -1.4922 -2.8700 -2.9864 H 1 UNL11 0.1679 38 H -2.6670 0.2294 -1.8989 H 1 UNL11 0.1834 39 H -4.1071 -2.5476 1.0992 H 1 UNL11 0.1798 40 H -0.3045 -1.1464 -1.0697 H 1 UNL11 0.3391 41 H -5.4750 -0.7530 2.1900 H 1 UNL11 0.1833 42 H 0.4141 -3.5208 1.7975 H 1 UNL11 0.2060 43 H 2.6732 -3.4927 2.8384 H 1 UNL11 0.1628 44 H 4.9582 -2.7240 2.8622 H 1 UNL11 0.1567 45 H 4.9909 -0.9800 2.5672 H 1 UNL11 0.1677 46 H 5.6035 -2.0977 1.3405 H 1 UNL11 0.1606 47 H 3.6855 1.3612 1.0521 H 1 UNL11 0.1831 48 H 4.7520 -1.7879 -1.6956 H 1 UNL11 0.1597 49 H 6.4502 -0.3043 -2.7427 H 1 UNL11 0.1581 50 H 6.7728 2.0128 -1.8967 H 1 UNL11 0.1721 51 H 6.3845 4.8412 -0.2589 H 1 UNL11 0.3575 @BOND 1 1 21 1 2 2 21 1 3 3 14 2 4 4 17 1 5 4 21 1 6 5 19 1 7 5 21 1 8 6 33 1 9 6 51 1 10 7 33 2 11 8 14 am 12 8 20 1 13 8 40 1 14 9 20 ar 15 9 23 ar 16 10 11 1 17 10 12 1 18 10 13 1 19 10 14 1 20 11 12 1 21 11 34 1 22 11 35 1 23 12 36 1 24 12 37 1 25 13 15 ar 26 13 16 ar 27 15 17 ar 28 15 38 1 29 16 18 ar 30 16 39 1 31 17 19 ar 32 18 19 ar 33 18 41 1 34 20 22 ar 35 22 24 ar 36 22 42 1 37 23 25 ar 38 23 26 1 39 24 25 ar 40 24 43 1 41 25 27 1 42 26 28 ar 43 26 29 ar 44 27 44 1 45 27 45 1 46 27 46 1 47 28 30 ar 48 28 47 1 49 29 31 ar 50 29 48 1 51 30 32 ar 52 30 33 1 53 31 32 ar 54 31 49 1 55 32 50 1