@MOLECULE 72941918 33 34 1 SMALL USER_CHARGES @ATOM 1 O1 -3.6028 -1.4131 -1.7405 O.3 1 noname -0.2003 2 O2 -8.5644 -4.4836 -2.5327 O.2 1 noname -0.2961 3 O3 -5.6180 -0.6242 -0.7402 O.2 1 noname -0.2475 4 O4 -0.8064 -0.3087 0.2092 O.3 1 noname -0.2735 5 N1 -6.8148 -3.0120 -1.6977 N.3 1 noname -0.0713 6 C1 -5.6820 -2.4242 -2.4541 C.3 1 noname 0.1006 7 C2 -6.3334 -1.8358 -3.7156 C.3 1 noname -0.0195 8 C3 -7.4772 -2.8076 -4.0066 C.3 1 noname 0.0232 9 C4 -7.7333 -3.5663 -2.7071 C.2 1 noname 0.0408 10 C5 -5.0174 -1.3789 -1.5353 C.2 1 noname 0.1498 11 C6 -3.0179 -1.0457 -0.5058 C.3 1 noname 0.0804 12 C7 -1.5867 -0.7432 -0.9094 C.3 1 noname 0.0774 13 C8 0.4595 0.0110 -0.1991 C.2 1 noname -0.0006 14 C9 1.4801 -1.0068 -0.1992 C.2 1 noname -0.0309 15 C10 0.7545 1.3705 -0.5756 C.2 1 noname -0.0309 16 C11 2.8029 -0.6737 -0.6183 C.2 1 noname -0.0523 17 C12 2.0755 1.7112 -0.9954 C.2 1 noname -0.0523 18 C13 3.0658 0.6779 -1.0087 C.2 1 noname -0.0727 19 H1 -4.9703 -3.2255 -2.7025 H 1 noname 0.0578 20 H2 -6.7421 -0.8513 -3.4880 H 1 noname 0.0293 21 H3 -5.6381 -1.7289 -4.5482 H 1 noname 0.0293 22 H4 -8.3701 -2.2461 -4.2814 H 1 noname 0.0361 23 H5 -7.2580 -3.5296 -4.7933 H 1 noname 0.0361 24 H6 -6.9276 -3.0280 -0.7345 H 1 noname 0.1318 25 H7 -3.4911 -0.1361 -0.1360 H 1 noname 0.0597 26 H8 -3.1007 -1.8152 0.2617 H 1 noname 0.0597 27 H9 -1.5816 0.0295 -1.6781 H 1 noname 0.0596 28 H10 -1.1096 -1.6347 -1.3165 H 1 noname 0.0596 29 H11 1.2587 -1.9572 0.0978 H 1 noname 0.0650 30 H12 0.0255 2.0832 -0.5424 H 1 noname 0.0650 31 H13 3.5399 -1.3785 -0.6390 H 1 noname 0.0623 32 H14 2.3071 2.6636 -1.2778 H 1 noname 0.0623 33 H15 4.0094 0.9177 -1.3128 H 1 noname 0.0622 @BOND 1 1 10 1 2 1 11 1 3 2 9 2 4 3 10 2 5 4 12 1 6 4 13 1 7 5 6 1 8 5 9 1 9 5 24 1 10 6 7 1 11 6 10 1 12 6 19 1 13 7 8 1 14 7 20 1 15 7 21 1 16 8 9 1 17 8 22 1 18 8 23 1 19 11 12 1 20 11 25 1 21 11 26 1 22 12 27 1 23 12 28 1 24 13 14 2 25 13 15 1 26 14 16 1 27 14 29 1 28 15 17 2 29 15 30 1 30 16 18 2 31 16 31 1 32 17 18 1 33 17 32 1 34 18 33 1 @SUBSTRUCTURE 1 noname 1