@MOLECULE DB03833 33 34 1 SMALL USER_CHARGES @ATOM 1 O1 -2.2036 0.1191 -1.5796 O.2 1 noname -0.2634 2 C1 -1.3728 -0.2435 -0.7189 C.2 1 noname 0.1945 3 C2 -0.2298 0.5862 -0.3329 C.2 1 noname 0.1626 4 C3 -1.4773 -1.5894 0.0087 C.3 1 noname 0.0749 5 O2 1.0089 0.1667 0.0080 O.3 1 noname -0.2747 6 N1 -0.2658 1.9228 -0.3390 N.2 1 noname -0.0945 7 N2 -2.6850 -2.2465 -0.4633 N.3 1 noname -0.3070 8 C4 -0.3753 -2.6003 -0.3278 C.3 1 noname -0.0289 9 C5 1.7212 1.2949 0.2073 C.2 1 noname 0.1562 10 N3 0.9130 2.3405 -0.0147 N.2 1 noname -0.1222 11 C6 -2.5221 -3.5833 0.1239 C.3 1 noname -0.0040 12 C7 -1.0308 -3.9315 0.0378 C.3 1 noname -0.0387 13 C8 3.1266 1.3645 0.5967 C.3 1 noname 0.1091 14 C9 3.3175 0.6662 1.9446 C.3 1 noname -0.0525 15 C10 3.9844 0.6705 -0.4632 C.3 1 noname -0.0525 16 C11 3.5505 2.8297 0.7167 C.3 1 noname -0.0525 17 H1 -1.4765 -1.3658 1.0755 H 1 noname 0.0552 18 H2 -3.4289 -1.8776 -1.0383 H 1 noname 0.1229 19 H3 -0.2135 -2.5845 -1.4056 H 1 noname 0.0287 20 H4 0.4609 -2.4342 0.3513 H 1 noname 0.0287 21 H5 -2.7871 -3.4950 1.1775 H 1 noname 0.0428 22 H6 -3.0671 -4.2744 -0.5191 H 1 noname 0.0428 23 H7 -0.8909 -4.6165 -0.7985 H 1 noname 0.0280 24 H8 -0.6905 -4.2117 1.0346 H 1 noname 0.0280 25 H9 3.2971 -0.4140 1.8003 H 1 noname 0.0240 26 H10 4.2769 0.9576 2.3720 H 1 noname 0.0240 27 H11 2.5146 0.9576 2.6217 H 1 noname 0.0240 28 H12 4.7416 0.0580 0.0262 H 1 noname 0.0240 29 H13 3.3517 0.0377 -1.0855 H 1 noname 0.0240 30 H14 4.4711 1.4215 -1.0855 H 1 noname 0.0240 31 H15 3.6288 3.1001 1.7697 H 1 noname 0.0240 32 H16 4.5173 2.9689 0.2330 H 1 noname 0.0240 33 H17 2.8075 3.4637 0.2330 H 1 noname 0.0240 @BOND 1 1 2 2 2 2 3 1 3 4 2 1 4 3 5 1 5 3 6 2 6 4 7 1 7 4 8 1 8 5 9 1 9 6 10 1 10 7 11 1 11 8 12 1 12 9 13 1 13 9 10 2 14 11 12 1 15 13 14 1 16 13 15 1 17 13 16 1 18 4 17 1 19 7 18 1 20 8 19 1 21 8 20 1 22 11 21 1 23 11 22 1 24 12 23 1 25 12 24 1 26 14 25 1 27 14 26 1 28 14 27 1 29 15 28 1 30 15 29 1 31 15 30 1 32 16 31 1 33 16 32 1 34 16 33 1 @SUBSTRUCTURE 1 noname 1