@MOLECULE DB04387 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 -2.8416 -2.6219 2.6762 O.3 1 noname -0.3946 2 C1 -2.3515 -1.3742 2.2077 C.3 1 noname 0.0583 3 C2 -1.0635 -1.5982 1.4129 C.3 1 noname 0.0277 4 N1 -1.3394 -2.4721 0.2738 N.3 1 noname -0.3257 5 C3 -0.5354 -0.2538 0.9081 C.3 1 noname -0.0329 6 C4 0.7526 -0.4778 0.1133 C.3 1 noname -0.0398 7 C5 1.8275 -1.1477 1.0377 C.3 1 noname -0.0504 8 C6 1.1517 0.8504 -0.6213 C.3 1 noname -0.0504 9 C7 3.3015 -0.7591 0.7157 C.3 1 noname -0.0530 10 C8 2.3302 1.6321 0.0376 C.3 1 noname -0.0530 11 C9 3.5590 0.7644 0.4651 C.3 1 noname -0.0533 12 H1 -2.8428 -2.6251 3.6362 H 1 noname 0.2100 13 H2 -3.1118 -1.0025 1.5208 H 1 noname 0.0579 14 H3 -2.1011 -0.8054 3.1031 H 1 noname 0.0579 15 H4 -0.3150 -2.0998 2.0263 H 1 noname 0.0486 16 H5 -2.2848 -2.7740 0.0863 H 1 noname 0.1187 17 H6 -0.5846 -2.7740 -0.3256 H 1 noname 0.1187 18 H7 -1.2752 0.1314 0.2064 H 1 noname 0.0286 19 H8 -0.2645 0.3286 1.7887 H 1 noname 0.0286 20 H9 0.6009 -1.1981 -0.6906 H 1 noname 0.0303 21 H10 1.6371 -0.7628 2.0396 H 1 noname 0.0269 22 H11 1.7593 -2.2180 0.8430 H 1 noname 0.0269 23 H12 1.5153 0.5479 -1.6033 H 1 noname 0.0269 24 H13 0.2848 1.5060 -0.5393 H 1 noname 0.0269 25 H14 3.8684 -1.0076 1.6129 H 1 noname 0.0266 26 H15 3.5310 -1.2534 -0.2283 H 1 noname 0.0266 27 H16 2.7022 2.3028 -0.7370 H 1 noname 0.0266 28 H17 1.9253 2.0404 0.9636 H 1 noname 0.0266 29 H18 3.8669 1.1641 1.4313 H 1 noname 0.0266 30 H19 4.2425 0.8021 -0.3831 H 1 noname 0.0266 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 7 9 1 9 8 10 1 10 9 11 1 11 10 11 1 12 1 12 1 13 2 13 1 14 2 14 1 15 3 15 1 16 4 16 1 17 4 17 1 18 5 18 1 19 5 19 1 20 6 20 1 21 7 21 1 22 7 22 1 23 8 23 1 24 8 24 1 25 9 25 1 26 9 26 1 27 10 27 1 28 10 28 1 29 11 29 1 30 11 30 1 @SUBSTRUCTURE 1 noname 1