@MOLECULE 136381 56 60 1 SMALL USER_CHARGES @ATOM 1 O1 -5.5576 -2.1937 0.9871 O.2 1 noname -0.2293 2 C1 -5.4798 -2.2850 -0.2572 C.2 1 noname 0.1401 3 O2 -5.4319 -3.4577 -1.0576 O.3 1 noname -0.1849 4 N1 -5.4172 -1.2379 -1.2228 N.3 1 noname -0.0698 5 C2 -6.3437 -3.1349 -2.1070 C.3 1 noname 0.0746 6 C3 -4.5180 -0.1975 -1.1298 C.2 1 noname 0.0801 7 C4 -6.4206 -1.6090 -2.1946 C.3 1 noname 0.0523 8 N2 -3.9591 0.1316 0.0918 N.2 1 noname -0.1912 9 C5 -4.1040 0.5359 -2.2735 C.2 1 noname 0.0215 10 C6 -6.4073 -1.2145 -3.6856 C.3 1 noname -0.0281 11 C7 -3.0318 1.1135 0.2270 C.2 1 noname 0.0197 12 C8 -3.1351 1.5539 -2.1069 C.2 1 noname -0.0351 13 C9 -7.6393 -1.7997 -4.3789 C.3 1 noname -0.0612 14 C10 -5.1413 -1.7629 -4.3469 C.3 1 noname -0.0612 15 N3 -2.6353 1.8034 -0.8626 N.3 1 noname -0.0585 16 C11 -2.3428 1.5887 1.3452 C.2 1 noname 0.0612 17 N4 -1.7500 2.6923 -0.5245 N.2 1 noname -0.2971 18 C12 -2.4395 1.1186 2.6951 C.2 1 noname -0.0135 19 C13 -1.5339 2.6050 0.7942 C.2 1 noname 0.0444 20 C14 -1.6131 1.7138 3.7153 C.2 1 noname -0.0214 21 C15 -3.3083 0.0117 2.9955 C.2 1 noname -0.0214 22 C16 -1.7038 1.2437 5.0500 C.2 1 noname -0.0067 23 C17 -3.4019 -0.4732 4.3200 C.2 1 noname -0.0067 24 C18 -2.6315 0.1855 5.3275 C.2 1 noname -0.0037 25 C19 -2.9849 -0.1374 6.6363 C.2 1 noname 0.1108 26 O3 -3.6891 -1.2185 7.0227 O.3 1 noname -0.3242 27 N5 -2.8791 0.6916 7.6830 N.2 1 noname -0.1299 28 C20 -3.9947 -1.0253 8.3132 C.2 1 noname 0.1520 29 N6 -3.4804 0.1564 8.6825 N.2 1 noname -0.1373 30 N7 -4.6897 -1.8632 9.0945 N.3 1 noname -0.0445 31 C21 -5.6091 -2.5863 8.3072 C.3 1 noname 0.0267 32 C22 -6.4027 -3.5430 9.1993 C.3 1 noname 0.0562 33 O4 -7.3285 -4.2714 8.4064 O.3 1 noname -0.3949 34 H1 -5.8907 -3.5088 -3.0252 H 1 noname 0.0590 35 H2 -7.3160 -3.5096 -1.7871 H 1 noname 0.0590 36 H3 -7.2720 -1.0171 -1.8585 H 1 noname 0.0504 37 H4 -4.5208 0.3222 -3.2577 H 1 noname 0.0670 38 H5 -6.4221 -0.1290 -3.7824 H 1 noname 0.0314 39 H6 -2.7710 2.1503 -2.9434 H 1 noname 0.0815 40 H7 -8.3526 -2.1384 -3.6275 H 1 noname 0.0234 41 H8 -8.1034 -1.0348 -5.0016 H 1 noname 0.0234 42 H9 -7.3397 -2.6427 -5.0016 H 1 noname 0.0234 43 H10 -4.4331 -2.0697 -3.5773 H 1 noname 0.0234 44 H11 -5.3982 -2.6215 -4.9673 H 1 noname 0.0234 45 H12 -4.6908 -0.9882 -4.9673 H 1 noname 0.0234 46 H13 -0.8276 3.2451 1.3230 H 1 noname 0.0864 47 H14 -0.9191 2.5199 3.4773 H 1 noname 0.0629 48 H15 -3.9005 -0.4633 2.2133 H 1 noname 0.0629 49 H16 -1.0836 1.6794 5.8334 H 1 noname 0.0630 50 H17 -4.0435 -1.3224 4.5555 H 1 noname 0.0630 51 H18 -4.5471 -1.9361 10.0918 H 1 noname 0.1318 52 H19 -6.2984 -1.8409 7.9107 H 1 noname 0.0457 53 H20 -5.0004 -3.1821 7.6270 H 1 noname 0.0457 54 H21 -5.7114 -4.2866 9.5959 H 1 noname 0.0577 55 H22 -7.0094 -2.9454 9.8796 H 1 noname 0.0577 56 H23 -7.9344 -4.7479 8.9785 H 1 noname 0.2100 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 7 4 1 7 5 7 1 8 6 8 2 9 6 9 1 10 7 10 1 11 8 11 1 12 9 12 2 13 10 13 1 14 10 14 1 15 11 15 1 16 11 16 2 17 12 15 1 18 15 17 1 19 16 18 1 20 16 19 1 21 17 19 2 22 18 20 2 23 18 21 1 24 20 22 1 25 21 23 2 26 22 24 2 27 23 24 1 28 24 25 1 29 25 26 1 30 25 27 2 31 26 28 1 32 27 29 1 33 28 30 1 34 28 29 2 35 30 31 1 36 31 32 1 37 32 33 1 38 5 34 1 39 5 35 1 40 7 36 1 41 9 37 1 42 10 38 1 43 12 39 1 44 13 40 1 45 13 41 1 46 13 42 1 47 14 43 1 48 14 44 1 49 14 45 1 50 19 46 1 51 20 47 1 52 21 48 1 53 22 49 1 54 23 50 1 55 30 51 1 56 31 52 1 57 31 53 1 58 32 54 1 59 32 55 1 60 33 56 1 @SUBSTRUCTURE 1 noname 1