@MOLECULE DB07525 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 3.9491 -4.2599 2.5184 O.3 1 noname -0.2773 2 C1 4.0732 -3.1172 1.8103 C.2 1 noname -0.0010 3 C2 4.0497 -3.9708 3.9050 C.3 1 noname 0.0423 4 C3 2.9455 -2.3668 1.4985 C.2 1 noname -0.0298 5 C4 5.3288 -2.6911 1.3931 C.2 1 noname -0.0351 6 C5 3.0734 -1.1903 0.7694 C.2 1 noname -0.0453 7 C6 5.4567 -1.5145 0.6641 C.2 1 noname -0.0525 8 C7 4.3289 -0.7641 0.3522 C.2 1 noname -0.0712 9 C8 1.8889 -0.4021 0.4418 C.3 1 noname 0.0476 10 C9 2.0179 0.9329 1.0186 C.2 1 noname -0.0280 11 C10 1.6040 1.3653 2.2814 C.2 1 noname -0.0066 12 C11 2.5839 2.0702 0.4327 C.2 1 noname -0.1235 13 C12 1.9669 2.7163 2.4166 C.2 1 noname 0.0561 14 C13 0.8580 0.7127 3.3001 C.2 1 noname -0.0330 15 N1 2.5651 3.1220 1.2818 N.3 1 noname -0.0512 16 N2 1.6160 3.4223 3.5473 N.2 1 noname -0.2576 17 C14 0.4607 1.4694 4.4337 C.2 1 noname -0.0573 18 C15 0.8574 2.8429 4.5426 C.2 1 noname -0.0089 19 H1 4.0906 -4.9030 4.4685 H 1 noname 0.0535 20 H2 4.9555 -3.3938 4.0911 H 1 noname 0.0535 21 H3 3.1802 -3.3938 4.2199 H 1 noname 0.0535 22 H4 1.9609 -2.7010 1.8256 H 1 noname 0.0653 23 H5 6.2131 -3.2795 1.6377 H 1 noname 0.0650 24 H6 6.4412 -1.1804 0.3369 H 1 noname 0.0623 25 H7 4.4292 0.1585 -0.2195 H 1 noname 0.0625 26 H8 1.8832 -0.2778 -0.6410 H 1 noname 0.0366 27 H9 1.0453 -0.8799 0.9400 H 1 noname 0.0366 28 H10 2.9947 2.1302 -0.5751 H 1 noname 0.0792 29 H11 0.5971 -0.3421 3.2140 H 1 noname 0.0630 30 H12 2.9321 4.0454 1.1009 H 1 noname 0.1537 31 H13 -0.1423 1.0011 5.2116 H 1 noname 0.0639 32 H14 0.5772 3.4578 5.3978 H 1 noname 0.0839 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 4 6 1 6 5 7 2 7 6 8 2 8 6 9 1 9 7 8 1 10 9 10 1 11 10 11 1 12 10 12 2 13 11 13 2 14 11 14 1 15 12 15 1 16 13 16 1 17 13 15 1 18 14 17 2 19 16 18 2 20 17 18 1 21 3 19 1 22 3 20 1 23 3 21 1 24 4 22 1 25 5 23 1 26 7 24 1 27 8 25 1 28 9 26 1 29 9 27 1 30 12 28 1 31 14 29 1 32 15 30 1 33 17 31 1 34 18 32 1 @SUBSTRUCTURE 1 noname 1