@MOLECULE 71587696 33 32 1 SMALL USER_CHARGES @ATOM 1 O1 -1.3705 1.8313 0.2047 O.2 1 noname -0.2963 2 O2 2.7829 4.4370 0.6115 O.3 1 noname -0.2148 3 O3 2.9928 2.2027 0.4207 O.2 1 noname -0.2506 4 N1 0.7014 1.7733 -0.6537 N.3 1 noname -0.0734 5 C1 1.0680 -2.3399 -0.0093 C.3 1 noname -0.0528 6 C2 2.4142 -2.9072 -0.4643 C.3 1 noname -0.0533 7 C3 1.0291 -0.8355 -0.2850 C.3 1 noname -0.0450 8 C4 2.4530 -4.4116 -0.1886 C.3 1 noname -0.0535 9 C5 -0.3171 -0.2682 0.1699 C.3 1 noname 0.0212 10 C6 3.7992 -4.9789 -0.6436 C.3 1 noname -0.0561 11 C7 3.8381 -6.4833 -0.3679 C.3 1 noname -0.0654 12 C8 -0.3541 1.1674 -0.0931 C.2 1 noname 0.0399 13 C9 0.9774 3.1243 -0.3590 C.3 1 noname 0.0888 14 C10 2.3027 3.2299 0.2443 C.2 1 noname 0.1423 15 H1 0.2633 -2.8305 -0.5569 H 1 noname 0.0267 16 H2 0.9413 -2.5170 1.0587 H 1 noname 0.0267 17 H3 2.5408 -2.7301 -1.5323 H 1 noname 0.0266 18 H4 3.2189 -2.4166 0.0833 H 1 noname 0.0266 19 H5 1.1558 -0.6584 -1.3530 H 1 noname 0.0271 20 H6 1.8338 -0.3449 0.2626 H 1 noname 0.0271 21 H7 1.6483 -4.9022 -0.7362 H 1 noname 0.0266 22 H8 2.3264 -4.5887 0.8794 H 1 noname 0.0266 23 H9 -1.1218 -0.7589 -0.3776 H 1 noname 0.0361 24 H10 -0.4437 -0.4453 1.2380 H 1 noname 0.0361 25 H11 3.9258 -4.8018 -1.7116 H 1 noname 0.0264 26 H12 4.6039 -4.4883 -0.0960 H 1 noname 0.0264 27 H13 4.7971 -6.8874 -0.6920 H 1 noname 0.0230 28 H14 3.0333 -6.9739 -0.9155 H 1 noname 0.0230 29 H15 3.7114 -6.6604 0.7001 H 1 noname 0.0230 30 H16 1.2756 1.2826 -1.2622 H 1 noname 0.1315 31 H17 0.2299 3.5043 0.3374 H 1 noname 0.0541 32 H18 0.9488 3.7098 -1.2779 H 1 noname 0.0541 33 H19 3.4053 4.5081 1.3652 H 1 noname 0.2213 @BOND 1 1 12 2 2 2 14 1 3 2 33 1 4 3 14 2 5 4 12 1 6 4 13 1 7 4 30 1 8 5 6 1 9 5 7 1 10 5 15 1 11 5 16 1 12 6 8 1 13 6 17 1 14 6 18 1 15 7 9 1 16 7 19 1 17 7 20 1 18 8 10 1 19 8 21 1 20 8 22 1 21 9 12 1 22 9 23 1 23 9 24 1 24 10 11 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 11 29 1 30 13 14 1 31 13 31 1 32 13 32 1 @SUBSTRUCTURE 1 noname 1