REMARK Name = BDB025938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.873 -1.253 -0.485 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.382 0.010 -0.069 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.995 0.249 0.023 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.932 -0.752 -0.295 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.424 -1.991 -0.712 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.262 -2.994 -1.017 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.054 -2.244 -0.808 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.905 -3.102 -2.726 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.338 -2.458 -1.456 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.630 -3.322 -0.282 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.991 -3.094 0.214 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.640 -3.169 0.815 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -2.724 -4.400 0.820 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.823 -1.847 0.817 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.267 -1.468 -0.507 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.820 -2.202 -1.660 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.377 -0.498 -0.195 0.00 0.00 +0.021 A ATOM 18 C LIG 1 4.302 -0.938 -1.120 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.633 -0.707 -1.052 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 6.095 -0.002 -0.008 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.282 0.466 0.950 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.959 0.211 0.837 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.453 0.221 0.095 0.00 0.00 -0.295 N ATOM 24 C LIG 1 8.269 -0.083 -1.082 0.00 0.00 +0.136 C ATOM 25 C LIG 1 9.738 0.260 -0.791 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.954 1.642 -0.464 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 8.816 2.269 0.149 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.932 1.305 0.958 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.360 0.991 0.196 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.301 0.661 -0.005 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.190 2.237 0.741 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.156 2.737 1.165 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.473 2.990 0.862 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -3.001 3.391 2.155 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -4.149 4.091 2.205 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -4.882 4.462 0.965 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -5.929 5.095 1.058 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.302 4.043 -0.231 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -4.947 4.384 -1.490 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -3.116 3.327 -0.267 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -2.248 2.980 3.387 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -2.895 3.375 4.519 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -2.176 1.622 3.465 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6