@MOLECULE 116149 63 67 1 SMALL USER_CHARGES @ATOM 1 F1 -0.6374 -3.0831 1.8260 F 1 noname -0.1548 2 C1 -1.2068 -4.2321 2.0456 C.2 1 noname 0.0795 3 C2 -2.3799 -4.6288 1.3392 C.2 1 noname 0.0913 4 C3 -0.6873 -5.1471 2.9996 C.2 1 noname 0.0265 5 C4 -3.0622 -5.8639 1.6078 C.2 1 noname 0.0795 6 C5 -2.8633 -3.7264 0.2603 C.2 1 noname 0.0475 7 C6 -1.3059 -6.4282 3.2616 C.2 1 noname 0.0121 8 F2 -4.1651 -6.1589 0.9841 F 1 noname -0.1548 9 C7 -2.5171 -6.7520 2.5591 C.2 1 noname 0.0265 10 O1 -2.2350 -2.6905 -0.0477 O.2 1 noname -0.2879 11 N1 -4.1137 -4.0990 -0.4347 N.3 1 noname -0.0621 12 C8 -0.7997 -7.4291 4.2002 C.2 1 noname 0.0478 13 C9 -3.9410 -5.0988 -1.5328 C.3 1 noname 0.0088 14 C10 -4.8109 -2.8727 -0.8789 C.3 1 noname 0.0088 15 N2 -1.4396 -8.6546 4.2880 N.2 1 noname -0.2213 16 C11 0.3293 -7.2280 5.0706 C.2 1 noname 0.0415 17 C12 -5.3112 -5.5434 -2.1271 C.3 1 noname -0.0100 18 C13 -6.2949 -3.2880 -0.9869 C.3 1 noname -0.0100 19 C14 -1.1010 -9.6606 5.1383 C.2 1 noname 0.0456 20 C15 1.0358 -6.1328 5.0831 C.1 1 noname -0.0100 21 C16 0.6786 -8.2724 5.9570 C.2 1 noname 0.0371 22 C17 -6.5400 -4.6117 -1.8092 C.3 1 noname 0.0783 23 N3 -0.0404 -9.4338 5.9614 N.2 1 noname -0.2300 24 C18 1.6343 -5.1115 5.0379 C.1 1 noname -0.0269 25 C19 1.8080 -8.1096 6.8678 C.3 1 noname 0.0467 26 O2 -7.5104 -5.4262 -1.1298 O.3 1 noname -0.3665 27 C20 -7.1670 -4.2796 -3.1643 C.3 1 noname 0.0378 28 C21 2.2795 -4.0100 5.0027 C.2 1 noname -0.0258 29 C22 2.8518 -9.1917 6.5843 C.3 1 noname -0.0597 30 C23 -8.8220 -5.1739 -1.6638 C.3 1 noname 0.1060 31 C24 -8.6783 -4.4004 -2.9750 C.2 1 noname 0.1532 32 C25 1.5796 -2.7686 5.0510 C.2 1 noname 0.0129 33 C26 3.7106 -4.0425 4.9287 C.2 1 noname -0.0243 34 O3 -9.5854 -3.9680 -3.7184 O.2 1 noname -0.2890 35 N4 2.3352 -1.6153 5.0229 N.2 1 noname -0.2633 36 C27 4.4669 -2.8283 4.9015 C.2 1 noname -0.0315 37 C28 3.7241 -1.6120 4.9515 C.2 1 noname 0.0173 38 N5 4.3775 -0.4424 4.9292 N.3 1 noname -0.1209 39 H1 0.2108 -4.8582 3.5456 H 1 noname 0.0660 40 H2 -3.0338 -7.6921 2.7520 H 1 noname 0.0660 41 H3 -3.4046 -4.5744 -2.3236 H 1 noname 0.0436 42 H4 -3.4970 -5.9759 -1.0620 H 1 noname 0.0436 43 H5 -4.7145 -2.1403 -0.0774 H 1 noname 0.0436 44 H6 -4.4440 -2.6386 -1.8782 H 1 noname 0.0436 45 H7 -5.1810 -5.4964 -3.2082 H 1 noname 0.0309 46 H8 -5.5345 -6.4956 -1.6459 H 1 noname 0.0309 47 H9 -6.6092 -3.5030 0.0344 H 1 noname 0.0309 48 H10 -6.7778 -2.4884 -1.5488 H 1 noname 0.0309 49 H11 -1.6517 -10.6010 5.1591 H 1 noname 0.1061 50 H12 2.2560 -7.1472 6.6207 H 1 noname 0.0329 51 H13 1.4139 -8.2865 7.8685 H 1 noname 0.0329 52 H14 -6.9470 -3.2340 -3.3797 H 1 noname 0.0377 53 H15 -6.8622 -5.0564 -3.8656 H 1 noname 0.0377 54 H16 3.2319 -9.5858 7.5268 H 1 noname 0.0234 55 H17 2.3931 -9.9981 6.0120 H 1 noname 0.0234 56 H18 3.6741 -8.7623 6.0120 H 1 noname 0.0234 57 H19 -9.2432 -6.1523 -1.8951 H 1 noname 0.0649 58 H20 -9.3177 -4.5238 -0.9428 H 1 noname 0.0649 59 H21 0.4930 -2.7028 5.1079 H 1 noname 0.0853 60 H22 4.2290 -5.0007 4.8927 H 1 noname 0.0637 61 H23 5.5555 -2.8298 4.8455 H 1 noname 0.0656 62 H24 5.3874 -0.4281 4.9208 H 1 noname 0.1257 63 H25 3.8602 0.4250 4.9208 H 1 noname 0.1257 @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 1 8 5 9 2 9 6 10 2 10 6 11 1 11 7 12 1 12 7 9 1 13 11 13 1 14 11 14 1 15 12 15 2 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 16 20 1 21 16 21 2 22 17 22 1 23 18 22 1 24 19 23 2 25 20 24 3 26 21 25 1 27 21 23 1 28 22 26 1 29 22 27 1 30 24 28 1 31 25 29 1 32 26 30 1 33 27 31 1 34 28 32 2 35 28 33 1 36 30 31 1 37 31 34 2 38 32 35 1 39 33 36 2 40 35 37 2 41 36 37 1 42 37 38 1 43 4 39 1 44 9 40 1 45 13 41 1 46 13 42 1 47 14 43 1 48 14 44 1 49 17 45 1 50 17 46 1 51 18 47 1 52 18 48 1 53 19 49 1 54 25 50 1 55 25 51 1 56 27 52 1 57 27 53 1 58 29 54 1 59 29 55 1 60 29 56 1 61 30 57 1 62 30 58 1 63 32 59 1 64 33 60 1 65 36 61 1 66 38 62 1 67 38 63 1 @SUBSTRUCTURE 1 noname 1