@MOLECULE DB07539 32 34 1 SMALL USER_CHARGES @ATOM 1 S1 5.4358 2.1442 -0.7906 S.3 1 noname -0.0435 2 C1 5.4722 1.3193 0.8500 C.2 1 noname 0.0007 3 C2 4.1492 1.2011 -1.4998 C.2 1 noname 0.0742 4 N1 6.3126 1.4271 1.8028 N.2 1 noname -0.2498 5 N2 4.2495 0.4950 0.7509 N.3 1 noname 0.0522 6 C3 4.0964 0.0331 -0.6602 C.2 1 noname 0.0679 7 C4 3.2491 1.5452 -2.4179 C.2 1 noname 0.0507 8 O1 3.9497 -1.1481 -1.0418 O.2 1 noname -0.2848 9 C5 3.2538 2.7759 -3.0351 C.2 1 noname 0.0446 10 O2 4.3458 3.5486 -3.1765 O.3 1 noname -0.3648 11 C6 2.1171 3.4736 -3.4243 C.2 1 noname 0.0070 12 C7 3.9380 4.7918 -3.5179 C.2 1 noname 0.0493 13 C8 2.5531 4.7660 -3.7125 C.2 1 noname 0.0056 14 C9 4.8507 5.8734 -3.5521 C.2 1 noname -0.0030 15 C10 5.9531 5.7587 -2.6378 C.2 1 noname -0.0126 16 C11 4.7523 7.0030 -4.4447 C.2 1 noname -0.0126 17 C12 6.9883 6.7333 -2.6248 C.2 1 noname 0.0032 18 C13 5.7884 7.9899 -4.4425 C.2 1 noname 0.0032 19 C14 6.8879 7.8290 -3.5376 C.2 1 noname 0.0071 20 C15 7.9013 8.7803 -3.5477 C.2 1 noname 0.0849 21 O3 7.8410 9.7495 -4.3348 O.2 1 noname -0.2598 22 O4 8.9508 8.6575 -2.7075 O.3 1 noname -0.2191 23 H1 6.5878 0.5067 2.1147 H 1 noname 0.1893 24 H2 3.6255 0.2835 1.5164 H 1 noname 0.1395 25 H3 2.4915 0.8031 -2.6699 H 1 noname 0.0664 26 H4 1.0994 3.0887 -3.4897 H 1 noname 0.0651 27 H5 1.9281 5.6005 -4.0304 H 1 noname 0.0651 28 H6 6.0049 4.9199 -1.9437 H 1 noname 0.0630 29 H7 3.9005 7.1100 -5.1164 H 1 noname 0.0630 30 H8 7.8303 6.6435 -1.9385 H 1 noname 0.0631 31 H9 5.7411 8.8459 -5.1157 H 1 noname 0.0631 32 H10 8.6401 8.6938 -1.7999 H 1 noname 0.2216 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 1 6 3 7 2 7 5 6 1 8 6 8 2 9 7 9 1 10 9 10 1 11 9 11 2 12 10 12 1 13 11 13 1 14 12 14 1 15 12 13 2 16 14 15 2 17 14 16 1 18 15 17 1 19 16 18 2 20 17 19 2 21 18 19 1 22 19 20 1 23 20 21 2 24 20 22 1 25 4 23 1 26 5 24 1 27 7 25 1 28 11 26 1 29 13 27 1 30 15 28 1 31 16 29 1 32 17 30 1 33 18 31 1 34 22 32 1 @SUBSTRUCTURE 1 noname 1