@MOLECULE DB02275 34 35 1 SMALL USER_CHARGES @ATOM 1 O1 -0.3485 -2.0057 -0.8678 O.2 1 noname -0.3038 2 C1 0.4581 -1.0861 -0.6103 C.2 1 noname 0.0621 3 C2 1.6816 -0.8501 -1.3599 C.2 1 noname 0.0149 4 C3 0.2772 -0.1264 0.4792 C.2 1 noname 0.0149 5 C4 2.4963 0.1992 -1.1422 C.2 1 noname -0.0418 6 C5 1.0954 0.9398 0.6640 C.2 1 noname -0.0418 7 C6 2.2629 1.2539 -0.1654 C.3 1 noname -0.0019 8 C7 2.2358 2.6534 -0.8567 C.3 1 noname -0.0122 9 C8 3.6543 3.2681 -0.8641 C.3 1 noname 0.1262 10 N1 3.7090 4.6321 -1.0927 N.2 1 noname -0.2466 11 C9 4.5635 2.7219 -1.9752 C.2 1 noname 0.0878 12 C10 4.4991 4.9677 -2.0464 C.2 1 noname -0.0144 13 O2 4.8121 1.5324 -2.2681 O.2 1 noname -0.2806 14 N2 5.0528 3.9128 -2.5886 N.3 1 noname 0.0540 15 C11 4.7423 6.3143 -2.4614 C.3 1 noname 0.0463 16 C12 5.9999 3.9488 -3.6325 C.3 1 noname 0.0678 17 N3 5.2948 7.0767 -1.3430 N.3 1 noname -0.3243 18 C13 7.3167 4.0183 -3.0792 C.2 1 noname 0.1332 19 O3 8.0383 4.9670 -3.3392 O.2 1 noname -0.3004 20 H1 2.0170 -1.5175 -2.1537 H 1 noname 0.0660 21 H2 -0.5283 -0.2122 1.2085 H 1 noname 0.0660 22 H3 3.3791 0.1946 -1.7815 H 1 noname 0.0583 23 H4 0.8048 1.5656 1.5078 H 1 noname 0.0583 24 H5 3.0839 1.2276 0.5510 H 1 noname 0.0390 25 H6 1.9662 2.4852 -1.8994 H 1 noname 0.0302 26 H7 1.6209 3.3018 -0.2326 H 1 noname 0.0302 27 H8 4.0027 3.1126 0.1569 H 1 noname 0.0649 28 H9 5.5142 6.2649 -3.2294 H 1 noname 0.0503 29 H10 3.7685 6.7451 -2.6944 H 1 noname 0.0503 30 H11 5.9229 2.9949 -4.1542 H 1 noname 0.0518 31 H12 5.8311 4.8805 -4.1725 H 1 noname 0.0518 32 H13 6.2699 7.3401 -1.3441 H 1 noname 0.1188 33 H14 4.7015 7.3401 -0.5693 H 1 noname 0.1188 34 H15 7.8018 3.3017 -2.4165 H 1 noname 0.1055 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 4 6 2 6 5 7 1 7 6 7 1 8 7 8 1 9 9 8 1 10 9 10 1 11 9 11 1 12 10 12 2 13 11 13 2 14 11 14 1 15 12 15 1 16 12 14 1 17 14 16 1 18 15 17 1 19 16 18 1 20 18 19 2 21 3 20 1 22 4 21 1 23 5 22 1 24 6 23 1 25 7 24 1 26 8 25 1 27 8 26 1 28 9 27 1 29 15 28 1 30 15 29 1 31 16 30 1 32 16 31 1 33 17 32 1 34 17 33 1 35 18 34 1 @SUBSTRUCTURE 1 noname 1