@MOLECULE cndp 60 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 4.7593 -2.6353 2.1251 F 1 UNL1 -0.0976 2 O 4.2136 -1.7340 -2.7496 O.3 1 UNL1 -0.4149 3 O 4.4787 1.6017 -1.1009 O.2 1 UNL1 -0.5324 4 O 4.1903 2.5681 2.3629 O.2 1 UNL1 -0.3438 5 O 3.8760 -0.1891 3.0489 O.2 1 UNL1 -0.3993 6 O -0.5480 0.0191 -0.0655 O.3 1 UNL1 -0.4324 7 O -1.8721 1.5551 -1.1119 O.2 1 UNL1 -0.3539 8 O -4.8928 -1.5491 0.2569 O.3 1 UNL1 -0.4310 9 O -4.9862 -0.5589 -1.7682 O.2 1 UNL1 -0.3889 10 N 4.9575 -0.6173 -0.8385 N.ar 1 UNL1 -0.4641 11 N 4.1573 0.7281 0.9863 N.ar 1 UNL1 -0.6526 12 N -2.7532 -0.7382 0.0295 N.2 1 UNL1 -0.5059 13 N 1.6838 -2.5370 0.3629 N.1 1 UNL1 -0.2653 14 C 4.5117 0.6311 -0.3712 C.ar 1 UNL1 0.7167 15 C 2.4927 2.5149 0.6728 C.ar 1 UNL1 -0.1585 16 C 5.1445 -0.8025 -2.2961 C.3 1 UNL1 0.1646 17 C 3.6569 2.0239 1.4455 C.2 1 UNL1 0.6238 18 C 4.9621 -1.7408 -0.0190 C.ar 1 UNL1 0.1113 19 C 4.2296 -0.3621 1.9152 C.ar 1 UNL1 0.5966 20 C 4.6860 -1.6061 1.3010 C.ar 1 UNL1 -0.0942 21 C 1.3833 1.6890 0.4979 C.ar 1 UNL1 -0.0193 22 C 0.3155 2.1446 -0.2746 C.ar 1 UNL1 -0.1626 23 C 2.5312 3.7917 0.1121 C.ar 1 UNL1 -0.0165 24 C 0.3455 3.4214 -0.8472 C.ar 1 UNL1 -0.0420 25 C 1.4504 4.2432 -0.6461 C.ar 1 UNL1 -0.1905 26 C 3.0435 -1.2350 -3.3866 C.3 1 UNL1 0.0002 27 C -0.8598 1.3028 -0.5437 C.2 1 UNL1 0.6054 28 C 2.1925 -0.3552 -2.4907 C.3 1 UNL1 -0.5006 29 C -1.4328 -0.9784 0.0685 C.2 1 UNL1 0.5111 30 C -0.8686 -2.2569 0.3181 C.3 1 UNL1 -0.2499 31 C -3.5692 -1.7968 0.2250 C.2 1 UNL1 0.5051 32 C -1.7558 -3.3200 0.5391 C.2 1 UNL1 0.0355 33 C -3.1257 -3.1056 0.4954 C.2 1 UNL1 -0.3495 34 C -6.6021 0.0317 -0.0774 C.ar 1 UNL1 -0.1532 35 C -5.4336 -0.6284 -0.6654 C.2 1 UNL1 0.6234 36 C -7.4059 0.7945 -0.9316 C.ar 1 UNL1 -0.0688 37 C -6.9052 -0.0717 1.2812 C.ar 1 UNL1 -0.0567 38 C -8.5219 1.4499 -0.4205 C.ar 1 UNL1 -0.1793 39 C -8.0250 0.5869 1.7848 C.ar 1 UNL1 -0.1807 40 C -8.8306 1.3450 0.9360 C.ar 1 UNL1 -0.0906 41 C 0.5314 -2.4214 0.3452 C.1 1 UNL1 0.1676 42 H 5.0897 0.1761 -2.8198 H 1 UNL1 0.1606 43 H 6.1248 -1.3064 -2.4673 H 1 UNL1 0.1482 44 H 5.2140 -2.6982 -0.4972 H 1 UNL1 0.2005 45 H 1.3593 0.6953 0.9601 H 1 UNL1 0.1859 46 H 3.4075 4.4285 0.2583 H 1 UNL1 0.1683 47 H -0.4982 3.7664 -1.4515 H 1 UNL1 0.1695 48 H 1.4774 5.2380 -1.0884 H 1 UNL1 0.1624 49 H 2.5332 -2.1880 -3.6367 H 1 UNL1 0.1460 50 H 3.3432 -0.7206 -4.3162 H 1 UNL1 0.1153 51 H 2.0665 -0.8068 -1.4968 H 1 UNL1 0.1723 52 H 2.6305 0.6415 -2.3489 H 1 UNL1 0.1650 53 H 1.1910 -0.2115 -2.9129 H 1 UNL1 0.1575 54 H -1.3589 -4.3194 0.7419 H 1 UNL1 0.1732 55 H -3.8447 -3.9039 0.6538 H 1 UNL1 0.1975 56 H -7.1518 0.8747 -1.9917 H 1 UNL1 0.1723 57 H -6.2694 -0.6615 1.9457 H 1 UNL1 0.1719 58 H -9.1525 2.0446 -1.0792 H 1 UNL1 0.1582 59 H -8.2700 0.5096 2.8428 H 1 UNL1 0.1583 60 H -9.7045 1.8602 1.3345 H 1 UNL1 0.1505 @BOND 1 50 26 1 2 49 26 1 3 26 2 1 4 26 28 1 5 53 28 1 6 42 16 1 7 2 16 1 8 28 52 1 9 28 51 1 10 43 16 1 11 16 10 1 12 56 36 1 13 9 35 2 14 47 24 1 15 7 27 2 16 3 14 2 17 48 25 1 18 58 38 1 19 36 38 ar 20 36 34 ar 21 24 25 ar 22 24 22 ar 23 10 14 ar 24 10 18 ar 25 35 34 1 26 35 8 1 27 25 23 ar 28 27 22 1 29 27 6 1 30 44 18 1 31 38 40 ar 32 14 11 ar 33 22 21 ar 34 34 37 ar 35 6 29 1 36 18 20 ar 37 12 29 2 38 12 31 2 39 29 30 1 40 23 46 1 41 23 15 ar 42 31 8 1 43 31 33 1 44 30 41 1 45 30 32 1 46 41 13 3 47 33 32 2 48 33 55 1 49 21 15 ar 50 21 45 1 51 32 54 1 52 15 17 1 53 40 60 1 54 40 39 ar 55 11 17 am 56 11 19 ar 57 37 39 ar 58 37 57 1 59 20 19 ar 60 20 1 1 61 17 4 2 62 39 59 1 63 19 5 2