@MOLECULE DB04639 33 34 1 SMALL USER_CHARGES @ATOM 1 O1 1.5985 6.8386 0.1553 O.2 1 noname -0.2495 2 C1 1.9250 5.8173 -0.4873 C.2 1 noname 0.1438 3 O2 2.9531 5.8694 -1.3606 O.3 1 noname -0.2139 4 C2 1.1943 4.5683 -0.2935 C.3 1 noname 0.0953 5 N1 0.6016 4.1484 -1.5623 N.3 1 noname -0.3191 6 C3 2.1559 3.4867 0.2029 C.3 1 noname -0.0030 7 C4 1.4253 2.2376 0.3967 C.2 1 noname -0.0526 8 C5 1.3120 1.3292 -0.6492 C.2 1 noname -0.0521 9 C6 0.8430 1.9568 1.6272 C.2 1 noname -0.0521 10 C7 0.6164 0.1400 -0.4647 C.2 1 noname -0.0460 11 C8 0.1474 0.7676 1.8118 C.2 1 noname -0.0460 12 C9 0.0341 -0.1408 0.7658 C.2 1 noname -0.0403 13 C10 -0.6615 -1.3300 0.9504 C.2 1 noname -0.0409 14 C11 -1.2439 -1.6107 2.1809 C.2 1 noname -0.0477 15 C12 -0.7748 -2.2384 -0.0956 C.2 1 noname -0.0477 16 C13 -1.9395 -2.7999 2.3655 C.2 1 noname -0.0576 17 C14 -1.4705 -3.4276 0.0890 C.2 1 noname -0.0576 18 C15 -2.0528 -3.7083 1.3195 C.2 1 noname -0.0607 19 H1 3.7816 5.9113 -0.8774 H 1 noname 0.2213 20 H2 0.3875 4.7534 0.4156 H 1 noname 0.0575 21 H3 -0.3956 4.0034 -1.6303 H 1 noname 0.1191 22 H4 1.1894 4.0034 -2.3707 H 1 noname 0.1191 23 H5 2.8738 3.2934 -0.5943 H 1 noname 0.0337 24 H6 2.5060 3.7856 1.1909 H 1 noname 0.0337 25 H7 1.7686 1.5493 -1.6142 H 1 noname 0.0625 26 H8 0.9318 2.6692 2.4475 H 1 noname 0.0625 27 H9 0.5275 -0.5724 -1.2849 H 1 noname 0.0629 28 H10 -0.3093 0.5475 2.7767 H 1 noname 0.0629 29 H11 -1.1550 -0.8984 3.0011 H 1 noname 0.0629 30 H12 -0.3182 -2.0182 -1.0605 H 1 noname 0.0629 31 H13 -2.3961 -3.0201 3.3304 H 1 noname 0.0622 32 H14 -1.5593 -4.1399 -0.7312 H 1 noname 0.0622 33 H15 -2.5983 -4.6408 1.4642 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 4 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 8 10 1 10 9 11 2 11 10 12 2 12 11 12 1 13 12 13 1 14 13 14 2 15 13 15 1 16 14 16 1 17 15 17 2 18 16 18 2 19 17 18 1 20 3 19 1 21 4 20 1 22 5 21 1 23 5 22 1 24 6 23 1 25 6 24 1 26 8 25 1 27 9 26 1 28 10 27 1 29 11 28 1 30 14 29 1 31 15 30 1 32 16 31 1 33 17 32 1 34 18 33 1 @SUBSTRUCTURE 1 noname 1