@MOLECULE 72710700 32 32 1 SMALL USER_CHARGES @ATOM 1 O1 -0.5434 -2.0003 -1.7126 O.3 1 noname -0.3870 2 O2 -4.9219 0.5553 0.9187 O.3 1 noname -0.2759 3 O3 -6.1842 -1.8763 0.8801 O.3 1 noname -0.2762 4 N1 1.4780 -2.2871 0.2577 N.3 1 noname -0.3115 5 C1 -0.7517 -1.5266 -0.3903 C.3 1 noname 0.0916 6 C2 0.0572 -2.3785 0.5900 C.3 1 noname 0.0258 7 C3 2.2509 -3.1011 1.1944 C.3 1 noname 0.0013 8 C4 -2.1705 -1.6179 -0.0585 C.2 1 noname -0.0457 9 C5 3.7378 -3.0054 0.8467 C.3 1 noname -0.0500 10 C6 1.7973 -4.5592 1.0976 C.3 1 noname -0.0500 11 C7 -2.8810 -0.4713 0.2770 C.2 1 noname -0.0120 12 C8 -2.8109 -2.8515 -0.0780 C.2 1 noname -0.0521 13 C9 -4.2319 -0.5583 0.5929 C.2 1 noname 0.0254 14 C10 -4.1617 -2.9385 0.2378 C.2 1 noname -0.0209 15 C11 -4.8722 -1.7918 0.5733 C.2 1 noname 0.0226 16 H1 -0.4285 -0.4879 -0.3213 H 1 noname 0.0665 17 H2 -0.1027 -2.0149 1.6050 H 1 noname 0.0458 18 H3 -0.2660 -3.4172 0.5210 H 1 noname 0.0458 19 H4 2.0910 -2.7375 2.2095 H 1 noname 0.0459 20 H5 1.7810 -1.3132 0.3224 H 1 noname 0.1225 21 H6 4.3140 -3.6124 1.5451 H 1 noname 0.0246 22 H7 2.3735 -5.1661 1.7959 H 1 noname 0.0246 23 H8 0.7380 -4.6273 1.3453 H 1 noname 0.0246 24 H9 1.9572 -4.9228 0.0825 H 1 noname 0.0246 25 H10 3.8977 -3.3690 -0.1683 H 1 noname 0.0246 26 H11 4.0609 -1.9667 0.9157 H 1 noname 0.0246 27 H12 -2.4112 0.4339 0.2914 H 1 noname 0.0654 28 H13 -2.2895 -3.6929 -0.3242 H 1 noname 0.0627 29 H14 -1.0614 -1.4546 -2.3405 H 1 noname 0.2109 30 H15 -4.6316 -3.8437 0.2235 H 1 noname 0.0651 31 H16 -4.3248 1.3316 0.8839 H 1 noname 0.2183 32 H17 -6.4747 -2.8102 0.8181 H 1 noname 0.2183 @BOND 1 5 1 1 2 1 29 1 3 2 13 1 4 2 31 1 5 3 15 1 6 3 32 1 7 4 6 1 8 4 7 1 9 4 20 1 10 5 6 1 11 5 8 1 12 5 16 1 13 6 17 1 14 6 18 1 15 7 9 1 16 7 10 1 17 7 19 1 18 8 11 2 19 8 12 1 20 9 21 1 21 9 25 1 22 9 26 1 23 10 22 1 24 10 23 1 25 10 24 1 26 11 13 1 27 11 27 1 28 12 14 2 29 12 28 1 30 13 15 2 31 14 15 1 32 14 30 1 @SUBSTRUCTURE 1 noname 1