@MOLECULE DB07256 41 44 1 SMALL USER_CHARGES @ATOM 1 Cl1 -2.8478 2.2434 3.1194 Cl 1 noname -0.0808 2 C1 -1.2497 2.1742 2.5835 C.2 1 noname -0.0148 3 C2 -0.7605 3.1504 1.6603 C.2 1 noname 0.0402 4 C3 -0.3850 1.1439 3.0493 C.2 1 noname -0.0285 5 N1 -1.6357 3.8313 0.8684 N.3 1 noname 0.0228 6 C4 0.6218 3.1414 1.2971 C.2 1 noname 0.0363 7 C5 0.9683 1.1077 2.6321 C.2 1 noname -0.0314 8 C6 -2.1228 3.3192 -0.3168 C.2 1 noname 0.0397 9 O1 1.2300 3.9075 0.3720 O.3 1 noname -0.2408 10 C7 1.4682 2.1459 1.7924 C.2 1 noname 0.0316 11 N2 -3.0042 4.0955 -1.0449 N.2 1 noname -0.2312 12 C8 -1.7531 2.0133 -0.7815 C.2 1 noname -0.0238 13 C9 2.5149 3.2651 0.2677 C.3 1 noname 0.1588 14 O2 2.7159 2.2832 1.3041 O.3 1 noname -0.2447 15 C10 -3.5816 3.6859 -2.2226 C.2 1 noname 0.0845 16 C11 -2.3508 1.5995 -1.9829 C.2 1 noname 0.0084 17 N3 -3.2223 2.4277 -2.6435 N.2 1 noname -0.2562 18 N4 -4.4337 4.4576 -2.9112 N.3 1 noname 0.0315 19 C12 -3.7499 5.2072 -3.7865 C.2 1 noname -0.0152 20 C13 -4.4243 6.0931 -4.6186 C.2 1 noname -0.0132 21 C14 -2.3662 5.0988 -3.8624 C.2 1 noname -0.0389 22 C15 -3.7151 6.8707 -5.5266 C.2 1 noname -0.0124 23 C16 -1.6570 5.8763 -4.7704 C.2 1 noname -0.0471 24 C17 -4.3895 7.7566 -6.3586 C.2 1 noname 0.0081 25 C18 -2.3314 6.7623 -5.6025 C.2 1 noname -0.0377 26 O3 -3.7516 8.4559 -7.1752 O.2 1 noname -0.2976 27 N5 -5.7234 7.8611 -6.2855 N.3 1 noname -0.0881 28 H1 -0.7610 0.3790 3.7288 H 1 noname 0.0639 29 H2 -1.9338 4.7478 1.1705 H 1 noname 0.1358 30 H3 1.6163 0.2920 2.9529 H 1 noname 0.0651 31 H4 -1.0540 1.3684 -0.2489 H 1 noname 0.0672 32 H5 2.5051 2.7165 -0.6741 H 1 noname 0.0892 33 H6 3.2587 4.0437 0.4372 H 1 noname 0.0892 34 H7 -2.1348 0.6199 -2.4096 H 1 noname 0.0841 35 H8 -5.4362 4.4720 -2.7893 H 1 noname 0.1373 36 H9 -5.5094 6.1781 -4.5591 H 1 noname 0.0647 37 H10 -1.8374 4.4040 -3.2099 H 1 noname 0.0639 38 H11 -0.5719 5.7913 -4.8299 H 1 noname 0.0623 39 H12 -1.7752 7.3720 -6.3145 H 1 noname 0.0630 40 H13 -6.1578 8.7725 -6.2579 H 1 noname 0.1274 41 H14 -6.2944 7.0285 -6.2579 H 1 noname 0.1274 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 6 9 1 9 6 10 2 10 7 10 1 11 8 11 2 12 8 12 1 13 9 13 1 14 10 14 1 15 11 15 1 16 12 16 2 17 13 14 1 18 15 17 2 19 15 18 1 20 16 17 1 21 18 19 1 22 19 20 2 23 19 21 1 24 20 22 1 25 21 23 2 26 22 24 1 27 22 25 2 28 23 25 1 29 24 26 2 30 24 27 1 31 4 28 1 32 5 29 1 33 7 30 1 34 12 31 1 35 13 32 1 36 13 33 1 37 16 34 1 38 18 35 1 39 20 36 1 40 21 37 1 41 23 38 1 42 25 39 1 43 27 40 1 44 27 41 1 @SUBSTRUCTURE 1 noname 1