@MOLECULE 116030 72 76 1 SMALL USER_CHARGES @ATOM 1 F1 0.8400 0.1091 -1.3351 F 1 noname -0.1568 2 C1 0.0612 0.5834 -0.4072 C.2 1 noname 0.0675 3 C2 0.3291 1.8446 0.2032 C.2 1 noname 0.0465 4 C3 -1.0815 -0.1390 0.0288 C.2 1 noname 0.0321 5 C4 1.4909 2.6284 -0.2573 C.2 1 noname 0.0318 6 C5 -0.4729 2.3843 1.2514 C.2 1 noname 0.0036 7 C6 -1.9320 0.3871 1.0664 C.2 1 noname -0.0001 8 O1 2.6080 2.4462 0.2731 O.2 1 noname -0.2914 9 N1 1.3482 3.6406 -1.3534 N.3 1 noname -0.0650 10 C7 -1.6183 1.6577 1.6791 C.2 1 noname -0.0217 11 C8 -3.1077 -0.3471 1.4783 C.2 1 noname 0.0476 12 C9 2.3428 4.7400 -1.2076 C.3 1 noname 0.0076 13 C10 0.0059 4.1283 -1.8148 C.3 1 noname 0.0076 14 N2 -4.1548 0.4370 1.9128 N.2 1 noname -0.2222 15 C11 -3.2755 -1.7752 1.4631 C.2 1 noname 0.0406 16 C12 1.9051 5.8519 -0.2113 C.3 1 noname -0.0241 17 C13 -0.6400 5.1989 -0.8942 C.3 1 noname -0.0241 18 C14 -5.3532 -0.0515 2.3356 C.2 1 noname 0.0454 19 C15 -2.4057 -2.7058 1.0999 C.1 1 noname -0.0101 20 C16 -4.5227 -2.2579 1.9007 C.2 1 noname 0.0370 21 C17 0.3665 6.1972 -0.2116 C.3 1 noname 0.0123 22 N3 -5.5016 -1.4091 2.3139 N.2 1 noname -0.2309 23 C18 -1.6390 -3.5793 0.7736 C.1 1 noname -0.0268 24 C19 -4.7704 -3.6967 1.9113 C.3 1 noname 0.0467 25 N4 -0.1390 6.5053 1.1667 N.3 1 noname -0.2956 26 C20 -0.7827 -4.5314 0.4113 C.2 1 noname -0.0250 27 C21 -5.0858 -4.1493 3.3384 C.3 1 noname -0.0597 28 C22 0.2427 7.8777 1.6571 C.3 1 noname 0.0222 29 C23 -0.1833 5.3663 2.1593 C.3 1 noname 0.0222 30 C24 0.4909 -4.1758 -0.1325 C.2 1 noname 0.0133 31 C25 -1.1051 -5.9207 0.5547 C.2 1 noname -0.0239 32 C26 0.5078 7.9523 3.1924 C.3 1 noname 0.0595 33 C27 1.0017 5.4334 3.1520 C.3 1 noname 0.0595 34 N5 1.3426 -5.2050 -0.4907 N.2 1 noname -0.2618 35 C28 -0.2109 -6.9658 0.1785 C.2 1 noname -0.0301 36 O2 1.1876 6.7652 3.7264 O.3 1 noname -0.3786 37 C29 1.0395 -6.5431 -0.3558 C.2 1 noname 0.0185 38 N6 1.9378 -7.4626 -0.7343 N.3 1 noname -0.1129 39 C30 3.1227 -7.2970 0.0117 C.3 1 noname -0.0101 40 H1 -1.3064 -1.0998 -0.4342 H 1 noname 0.0660 41 H2 -0.2149 3.3353 1.7174 H 1 noname 0.0631 42 H3 -2.2484 2.0699 2.4673 H 1 noname 0.0629 43 H4 3.2266 4.2666 -0.7798 H 1 noname 0.0436 44 H5 2.3962 5.2051 -2.1920 H 1 noname 0.0436 45 H6 0.1959 4.6186 -2.7695 H 1 noname 0.0436 46 H7 -0.6432 3.2537 -1.7709 H 1 noname 0.0436 47 H8 2.1173 5.4483 0.7788 H 1 noname 0.0296 48 H9 2.4110 6.7556 -0.5513 H 1 noname 0.0296 49 H10 -1.2594 5.8073 -1.5531 H 1 noname 0.0296 50 H11 -1.0983 4.6376 -0.0799 H 1 noname 0.0296 51 H12 -6.1515 0.6092 2.6737 H 1 noname 0.1061 52 H13 0.3433 7.1017 -0.8194 H 1 noname 0.0468 53 H14 -5.6671 -3.8509 1.3112 H 1 noname 0.0329 54 H15 -3.8308 -4.1648 1.6176 H 1 noname 0.0329 55 H16 -5.0951 -5.2385 3.3804 H 1 noname 0.0234 56 H17 -4.3246 -3.7660 4.0178 H 1 noname 0.0234 57 H18 -6.0626 -3.7660 3.6336 H 1 noname 0.0234 58 H19 1.1913 8.1006 1.1687 H 1 noname 0.0454 59 H20 -0.6298 8.5017 1.4636 H 1 noname 0.0454 60 H21 -1.0916 5.5139 2.7434 H 1 noname 0.0454 61 H22 -0.0530 4.4553 1.5752 H 1 noname 0.0454 62 H23 0.8060 -3.1416 -0.2711 H 1 noname 0.0853 63 H24 -2.0751 -6.1953 0.9690 H 1 noname 0.0637 64 H25 1.2085 8.7710 3.3563 H 1 noname 0.0579 65 H26 -0.4647 7.9604 3.6846 H 1 noname 0.0579 66 H27 0.7475 4.7948 3.9979 H 1 noname 0.0579 67 H28 1.9100 5.2442 2.5798 H 1 noname 0.0579 68 H29 -0.4666 -8.0193 0.2919 H 1 noname 0.0656 69 H30 1.7555 -8.1524 -1.4492 H 1 noname 0.1292 70 H31 2.8896 -7.3295 1.0760 H 1 noname 0.0396 71 H32 3.8205 -8.0981 -0.2321 H 1 noname 0.0396 72 H33 3.5741 -6.3352 -0.2321 H 1 noname 0.0396 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 9 12 1 13 9 13 1 14 11 14 2 15 11 15 1 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 15 20 2 21 16 21 1 22 17 21 1 23 18 22 2 24 19 23 3 25 20 24 1 26 20 22 1 27 21 25 1 28 23 26 1 29 24 27 1 30 25 28 1 31 25 29 1 32 26 30 2 33 26 31 1 34 28 32 1 35 29 33 1 36 30 34 1 37 31 35 2 38 32 36 1 39 33 36 1 40 34 37 2 41 35 37 1 42 37 38 1 43 38 39 1 44 4 40 1 45 6 41 1 46 10 42 1 47 12 43 1 48 12 44 1 49 13 45 1 50 13 46 1 51 16 47 1 52 16 48 1 53 17 49 1 54 17 50 1 55 18 51 1 56 21 52 1 57 24 53 1 58 24 54 1 59 27 55 1 60 27 56 1 61 27 57 1 62 28 58 1 63 28 59 1 64 29 60 1 65 29 61 1 66 30 62 1 67 31 63 1 68 32 64 1 69 32 65 1 70 33 66 1 71 33 67 1 72 35 68 1 73 38 69 1 74 39 70 1 75 39 71 1 76 39 72 1 @SUBSTRUCTURE 1 noname 1