@MOLECULE 57357558 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 -0.0492 2.7069 -2.0447 O.3 1 noname -0.3869 2 O2 -1.4316 -3.5171 -0.9780 O.2 1 noname -0.2916 3 N1 -0.4479 -0.1506 -0.6695 N.3 1 noname -0.0199 4 C1 -0.5440 2.1896 -0.8175 C.3 1 noname 0.0936 5 C2 0.5981 1.7922 0.1506 C.3 1 noname -0.0053 6 C3 0.7037 0.2420 0.0722 C.3 1 noname -0.0494 7 C4 -1.1587 0.9025 -1.0563 C.2 1 noname -0.0674 8 C5 -1.0319 -1.2917 -1.1211 C.2 1 noname -0.0617 9 C6 -2.3211 0.4964 -1.6713 C.2 1 noname -0.0252 10 C7 -2.2492 -0.8905 -1.6931 C.2 1 noname -0.0067 11 C8 -0.5520 -2.6337 -1.1366 C.2 1 noname 0.0611 12 C9 0.8180 -3.0071 -1.3137 C.2 1 noname -0.0156 13 C10 1.3348 -4.3001 -1.0164 C.2 1 noname -0.0174 14 C11 1.7535 -2.0507 -1.7726 C.2 1 noname -0.0174 15 C12 2.7209 -4.5581 -1.0293 C.2 1 noname -0.0471 16 C13 3.1188 -2.2232 -1.5087 C.2 1 noname -0.0471 17 C14 3.6199 -3.4872 -1.1789 C.2 1 noname -0.0409 18 H1 -1.2242 2.9041 -0.3624 H 1 noname 0.0665 19 H2 0.3995 2.1288 1.1730 H 1 noname 0.0313 20 H3 1.5401 2.2741 -0.1379 H 1 noname 0.0313 21 H4 0.7202 -0.1907 1.0622 H 1 noname 0.0473 22 H5 1.6416 0.0346 -0.4237 H 1 noname 0.0473 23 H6 -3.0756 1.0757 -2.0559 H 1 noname 0.0640 24 H7 -2.9542 -1.4953 -2.1075 H 1 noname 0.0644 25 H8 0.4925 3.5043 -1.8684 H 1 noname 0.2109 26 H9 0.7173 -5.0745 -0.7781 H 1 noname 0.0630 27 H10 1.4412 -1.1935 -2.2532 H 1 noname 0.0630 28 H11 3.0864 -5.4916 -0.8849 H 1 noname 0.0622 29 H12 3.7527 -1.4270 -1.5523 H 1 noname 0.0622 30 H13 4.6239 -3.6283 -1.0841 H 1 noname 0.0622 @BOND 1 1 4 1 2 1 25 1 3 2 11 2 4 3 6 1 5 3 7 1 6 3 8 1 7 4 5 1 8 4 7 1 9 4 18 1 10 5 6 1 11 5 19 1 12 5 20 1 13 6 21 1 14 6 22 1 15 7 9 2 16 8 10 2 17 8 11 1 18 9 10 1 19 9 23 1 20 10 24 1 21 11 12 1 22 12 13 2 23 12 14 1 24 13 15 1 25 13 26 1 26 14 16 2 27 14 27 1 28 15 17 2 29 15 28 1 30 16 17 1 31 16 29 1 32 17 30 1 @SUBSTRUCTURE 1 noname 1