@MOLECULE DB02546 39 39 1 SMALL USER_CHARGES @ATOM 1 O1 -7.3306 -8.0118 -2.1781 O.2 1 noname -0.2825 2 C1 -7.4164 -7.0597 -2.9834 C.2 1 noname 0.0827 3 N1 -8.0037 -5.9153 -2.6078 N.3 1 noname 0.0121 4 C2 -6.8768 -7.1945 -4.3333 C.3 1 noname 0.0233 5 O2 -7.9616 -5.5410 -1.3636 O.3 1 noname -0.3197 6 C3 -7.1105 -5.8959 -5.1080 C.3 1 noname -0.0449 7 C4 -6.5450 -6.0371 -6.5226 C.3 1 noname -0.0528 8 C5 -6.7786 -4.7386 -7.2973 C.3 1 noname -0.0528 9 C6 -6.2131 -4.8798 -8.7119 C.3 1 noname -0.0450 10 C7 -6.4468 -3.5813 -9.4865 C.3 1 noname 0.0215 11 C8 -5.9072 -3.7161 -10.8364 C.2 1 noname 0.1287 12 O3 -4.7215 -3.3967 -11.0703 O.2 1 noname -0.2762 13 N2 -6.6829 -4.1821 -11.8247 N.3 1 noname -0.1399 14 C9 -6.1876 -4.3058 -13.0636 C.2 1 noname -0.0225 15 C10 -4.8352 -4.5683 -13.2484 C.2 1 noname -0.0368 16 C11 -7.0263 -4.1716 -14.1640 C.2 1 noname -0.0368 17 C12 -4.3214 -4.6966 -14.5336 C.2 1 noname -0.0546 18 C13 -6.5125 -4.2999 -15.4491 C.2 1 noname -0.0546 19 C14 -5.1601 -4.5624 -15.6340 C.2 1 noname -0.0625 20 H1 -8.4852 -5.3263 -3.2722 H 1 noname 0.1640 21 H2 -5.8003 -7.3179 -4.2149 H 1 noname 0.0361 22 H3 -7.4652 -7.9755 -4.8148 H 1 noname 0.0361 23 H4 -7.9424 -6.3156 -0.7968 H 1 noname 0.2380 24 H5 -8.1895 -5.7805 -5.2105 H 1 noname 0.0271 25 H6 -6.5245 -5.1230 -4.6106 H 1 noname 0.0271 26 H7 -5.4659 -6.1525 -6.4200 H 1 noname 0.0267 27 H8 -7.1309 -6.8101 -7.0200 H 1 noname 0.0267 28 H9 -7.8577 -4.6232 -7.3998 H 1 noname 0.0267 29 H10 -6.1927 -3.9657 -6.7999 H 1 noname 0.0267 30 H11 -5.1341 -4.9952 -8.6093 H 1 noname 0.0271 31 H12 -6.7990 -5.6528 -9.2093 H 1 noname 0.0271 32 H13 -7.5233 -3.4578 -9.6050 H 1 noname 0.0361 33 H14 -5.8584 -2.8003 -9.0051 H 1 noname 0.0361 34 H15 -7.6409 -4.4401 -11.6357 H 1 noname 0.1370 35 H16 -4.1776 -4.6736 -12.3856 H 1 noname 0.0639 36 H17 -8.0868 -3.9657 -14.0190 H 1 noname 0.0639 37 H18 -3.2609 -4.9025 -14.6786 H 1 noname 0.0623 38 H19 -7.1701 -4.1946 -16.3120 H 1 noname 0.0623 39 H20 -4.7572 -4.6630 -16.6418 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 2 12 11 13 1 13 13 14 1 14 14 15 2 15 14 16 1 16 15 17 1 17 16 18 2 18 17 19 2 19 18 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 6 24 1 25 6 25 1 26 7 26 1 27 7 27 1 28 8 28 1 29 8 29 1 30 9 30 1 31 9 31 1 32 10 32 1 33 10 33 1 34 13 34 1 35 15 35 1 36 16 36 1 37 17 37 1 38 18 38 1 39 19 39 1 @SUBSTRUCTURE 1 noname 1