@MOLECULE grn-529 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 F -4.1436 -2.9978 1.6932 F 1 UNL1111111111 -0.1781 2 F -3.2188 -4.2143 0.2531 F 1 UNL1111111111 -0.2139 3 O 3.0656 -1.7811 -2.2742 O.2 1 UNL1111111111 -0.5016 4 O -2.5996 -2.0994 0.4964 O.3 1 UNL1111111111 -0.3685 5 N 3.2081 0.0995 -1.0332 N.am 1 UNL1111111111 -0.4965 6 N 4.6977 1.5620 1.9648 N.ar 1 UNL1111111111 -0.3625 7 N -3.6290 3.4411 -0.2926 N.ar 1 UNL1111111111 -0.3602 8 C 4.6260 0.2776 -1.4654 C.3 1 UNL1111111111 -0.0709 9 C 2.9993 0.6775 0.3200 C.3 1 UNL1111111111 -0.0802 10 C 5.3227 0.8388 -0.2673 C.ar 1 UNL1111111111 -0.1246 11 C 4.3836 1.0687 0.7691 C.ar 1 UNL1111111111 0.1403 12 C 2.5570 -1.0671 -1.4346 C.2 1 UNL1111111111 0.5765 13 C 6.6505 1.1394 -0.0447 C.ar 1 UNL1111111111 -0.0928 14 C 1.2048 -1.3313 -0.8803 C.ar 1 UNL1111111111 -0.1923 15 C 6.9965 1.6617 1.2103 C.ar 1 UNL1111111111 -0.2309 16 C 6.0054 1.8565 2.1755 C.ar 1 UNL1111111111 0.0449 17 C 0.2263 -0.3381 -0.8577 C.ar 1 UNL1111111111 -0.0305 18 C 0.9194 -2.6280 -0.4518 C.ar 1 UNL1111111111 -0.0149 19 C -1.0514 -0.6300 -0.3748 C.ar 1 UNL1111111111 -0.0634 20 C -0.3462 -2.9444 0.0382 C.ar 1 UNL1111111111 -0.3085 21 C -1.3153 -1.9450 0.0711 C.ar 1 UNL1111111111 0.2924 22 C -2.0554 0.3473 -0.3342 C.1 1 UNL1111111111 -0.0305 23 C -2.9452 -3.2837 1.1757 C.3 1 UNL1111111111 0.4442 24 C -2.9396 1.1789 -0.2945 C.1 1 UNL1111111111 -0.0731 25 C -3.9795 2.1319 -0.2440 C.ar 1 UNL1111111111 0.2145 26 C -5.3190 1.7113 -0.1475 C.ar 1 UNL1111111111 -0.2187 27 C -6.3168 2.6814 -0.1002 C.ar 1 UNL1111111111 -0.0778 28 C -5.9638 4.0277 -0.1491 C.ar 1 UNL1111111111 -0.2381 29 C -4.6049 4.3618 -0.2458 C.ar 1 UNL1111111111 0.0533 30 H 5.0701 -0.6824 -1.8184 H 1 UNL1111111111 0.1775 31 H 4.6366 0.9797 -2.3312 H 1 UNL1111111111 0.1695 32 H 2.5146 -0.0344 1.0216 H 1 UNL1111111111 0.1671 33 H 2.3350 1.5709 0.2343 H 1 UNL1111111111 0.1796 34 H 7.4089 0.9805 -0.8090 H 1 UNL1111111111 0.1659 35 H 8.0310 1.9135 1.4302 H 1 UNL1111111111 0.1692 36 H 6.2355 2.2627 3.1673 H 1 UNL1111111111 0.1748 37 H 0.4484 0.6701 -1.2233 H 1 UNL1111111111 0.1831 38 H 1.6903 -3.4020 -0.5132 H 1 UNL1111111111 0.1706 39 H -0.5535 -3.9628 0.3504 H 1 UNL1111111111 0.1727 40 H -2.1908 -3.6117 1.9427 H 1 UNL1111111111 0.1597 41 H -5.5578 0.6504 -0.1123 H 1 UNL1111111111 0.1774 42 H -7.3639 2.3875 -0.0259 H 1 UNL1111111111 0.1592 43 H -6.7196 4.8062 -0.1143 H 1 UNL1111111111 0.1648 44 H -4.2714 5.4058 -0.2878 H 1 UNL1111111111 0.1713 @BOND 1 1 23 1 2 2 23 1 3 3 12 2 4 4 21 1 5 4 23 1 6 5 8 1 7 5 9 1 8 5 12 am 9 6 11 ar 10 6 16 ar 11 7 25 ar 12 7 29 ar 13 8 10 1 14 8 30 1 15 8 31 1 16 9 11 1 17 9 32 1 18 9 33 1 19 10 11 ar 20 10 13 ar 21 12 14 1 22 13 15 ar 23 13 34 1 24 14 17 ar 25 14 18 ar 26 15 16 ar 27 15 35 1 28 16 36 1 29 17 19 ar 30 17 37 1 31 18 20 ar 32 18 38 1 33 19 21 ar 34 19 22 1 35 20 21 ar 36 20 39 1 37 22 24 3 38 23 40 1 39 24 25 1 40 25 26 ar 41 26 27 ar 42 26 41 1 43 27 28 ar 44 27 42 1 45 28 29 ar 46 28 43 1 47 29 44 1