@MOLECULE 136398 67 72 1 SMALL USER_CHARGES @ATOM 1 O1 1.1150 -3.0878 -1.2616 O.2 1 noname -0.2701 2 C1 0.5804 -4.1899 -1.0121 C.2 1 noname 0.0536 3 N1 -0.1223 -5.1156 -1.8473 N.3 1 noname -0.0943 4 N2 0.4687 -4.9530 0.2242 N.3 1 noname -0.0440 5 C2 0.4041 -5.4422 -3.0873 C.2 1 noname 0.0793 6 C3 -1.2647 -5.6213 -1.1010 C.3 1 noname 0.0405 7 C4 -0.7748 -5.7066 0.3435 C.3 1 noname 0.0240 8 C5 1.5588 -5.1288 1.1976 C.3 1 noname 0.0199 9 N3 1.2662 -4.5594 -3.6965 N.2 1 noname -0.1934 10 C6 0.1237 -6.6733 -3.7708 C.2 1 noname 0.0195 11 C7 -1.8922 -6.9979 -1.3932 C.3 1 noname -0.0292 12 C8 2.5788 -6.2133 0.7859 C.3 1 noname 0.0116 13 C9 1.8462 -4.8219 -4.8914 C.2 1 noname 0.0193 14 C10 0.7317 -6.9306 -5.0165 C.2 1 noname -0.0355 15 C11 -3.0682 -7.2343 -0.4433 C.3 1 noname -0.0612 16 C12 -0.8421 -8.0913 -1.1867 C.3 1 noname -0.0612 17 N4 3.6408 -6.4049 1.7655 N.3 1 noname -0.3019 18 N5 1.5730 -5.9824 -5.5211 N.3 1 noname -0.0601 19 C13 2.7440 -4.0823 -5.6603 C.2 1 noname 0.0611 20 C14 4.4930 -7.4990 1.3475 C.3 1 noname -0.0017 21 C15 4.6155 -5.3066 1.8509 C.3 1 noname -0.0017 22 N6 2.2201 -6.0329 -6.6343 N.2 1 noname -0.2973 23 C16 3.3210 -2.8167 -5.3547 C.2 1 noname -0.0157 24 C17 2.9475 -4.9119 -6.7777 C.2 1 noname 0.0443 25 C18 5.6316 -7.3912 2.3433 C.3 1 noname -0.0392 26 C19 5.7944 -5.8952 2.6087 C.3 1 noname -0.0392 27 C20 4.2554 -2.2126 -6.2708 C.2 1 noname -0.0226 28 C21 2.9801 -2.1790 -4.1131 C.2 1 noname -0.0226 29 C22 4.8174 -0.9518 -5.9644 C.2 1 noname -0.0105 30 C23 3.5368 -0.9261 -3.7935 C.2 1 noname -0.0105 31 C24 4.4275 -0.3244 -4.7388 C.2 1 noname -0.0068 32 C25 4.7551 1.0189 -4.5027 C.2 1 noname 0.0894 33 N7 4.6011 1.6700 -3.3375 N.2 1 noname -0.2830 34 N8 5.0143 1.9147 -5.4643 N.2 1 noname -0.1855 35 N9 4.7087 2.9307 -3.5717 N.3 1 noname -0.0100 36 C26 4.9638 3.1142 -4.8754 C.2 1 noname -0.0112 37 H1 -2.0225 -4.9001 -1.4072 H 1 noname 0.0493 38 H2 -0.5245 -6.7405 0.5813 H 1 noname 0.0452 39 H3 -1.4511 -5.1471 0.9897 H 1 noname 0.0452 40 H4 2.0920 -4.1781 1.1992 H 1 noname 0.0449 41 H5 1.0716 -5.4820 2.1064 H 1 noname 0.0449 42 H6 -0.5520 -7.4139 -3.3431 H 1 noname 0.0670 43 H7 -2.2489 -7.0312 -2.4226 H 1 noname 0.0314 44 H8 2.0443 -7.1630 0.7638 H 1 noname 0.0444 45 H9 3.0857 -5.8523 -0.1089 H 1 noname 0.0444 46 H10 0.5543 -7.8468 -5.5797 H 1 noname 0.0815 47 H11 -2.7219 -7.1647 0.5879 H 1 noname 0.0234 48 H12 -3.8355 -6.4808 -0.6205 H 1 noname 0.0234 49 H13 -3.4848 -8.2259 -0.6205 H 1 noname 0.0234 50 H14 -0.6888 -8.2510 -0.1194 H 1 noname 0.0234 51 H15 -1.1866 -9.0175 -1.6468 H 1 noname 0.0234 52 H16 0.0972 -7.7845 -1.6468 H 1 noname 0.0234 53 H17 3.9519 -8.4287 1.5237 H 1 noname 0.0430 54 H18 4.8679 -7.2671 0.3507 H 1 noname 0.0430 55 H19 4.9398 -5.0819 0.8348 H 1 noname 0.0430 56 H20 4.1694 -4.5250 2.4660 H 1 noname 0.0430 57 H21 3.5840 -4.7127 -7.6398 H 1 noname 0.0864 58 H22 5.3024 -7.8599 3.2706 H 1 noname 0.0280 59 H23 6.5364 -7.7417 1.8468 H 1 noname 0.0280 60 H24 6.7122 -5.5584 2.1268 H 1 noname 0.0280 61 H25 5.6400 -5.7159 3.6727 H 1 noname 0.0280 62 H26 4.5379 -2.7107 -7.1983 H 1 noname 0.0629 63 H27 2.2942 -2.6492 -3.4085 H 1 noname 0.0629 64 H28 5.5247 -0.4811 -6.6472 H 1 noname 0.0630 65 H29 3.2877 -0.4404 -2.8500 H 1 noname 0.0630 66 H30 4.6110 3.6441 -2.8634 H 1 noname 0.1766 67 H31 5.1059 4.0743 -5.3717 H 1 noname 0.1028 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 6 3 1 6 4 7 1 7 4 8 1 8 5 9 2 9 5 10 1 10 6 11 1 11 6 7 1 12 8 12 1 13 9 13 1 14 10 14 2 15 11 15 1 16 11 16 1 17 12 17 1 18 13 18 1 19 13 19 2 20 14 18 1 21 17 20 1 22 17 21 1 23 18 22 1 24 19 23 1 25 19 24 1 26 20 25 1 27 21 26 1 28 22 24 2 29 23 27 2 30 23 28 1 31 25 26 1 32 27 29 1 33 28 30 2 34 29 31 2 35 30 31 1 36 31 32 1 37 32 33 2 38 32 34 1 39 33 35 1 40 34 36 2 41 35 36 1 42 6 37 1 43 7 38 1 44 7 39 1 45 8 40 1 46 8 41 1 47 10 42 1 48 11 43 1 49 12 44 1 50 12 45 1 51 14 46 1 52 15 47 1 53 15 48 1 54 15 49 1 55 16 50 1 56 16 51 1 57 16 52 1 58 20 53 1 59 20 54 1 60 21 55 1 61 21 56 1 62 24 57 1 63 25 58 1 64 25 59 1 65 26 60 1 66 26 61 1 67 27 62 1 68 28 63 1 69 29 64 1 70 30 65 1 71 35 66 1 72 36 67 1 @SUBSTRUCTURE 1 noname 1