REMARK Name = BDB025824 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.050 -1.021 -0.306 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.475 0.255 -0.072 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.916 0.424 -0.063 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.784 -0.660 -0.290 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.193 -1.908 -0.531 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.962 -2.987 -0.744 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.191 -2.092 -0.541 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.750 -3.126 2.745 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.167 -2.963 1.331 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.010 -3.615 0.283 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.163 -5.053 0.540 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.418 -3.365 -1.066 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.323 -3.880 -2.199 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.136 -1.860 -1.354 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.450 -1.141 -0.266 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.998 -1.440 1.073 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.243 -0.481 -0.275 0.00 0.00 +0.021 A ATOM 18 C LIG 1 4.101 -1.082 -1.175 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.445 -0.928 -1.185 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.987 -0.135 -0.248 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.247 0.495 0.677 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.908 0.310 0.642 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.347 0.020 -0.223 0.00 0.00 -0.300 N ATOM 24 C LIG 1 8.155 -0.412 -1.346 0.00 0.00 +0.108 C ATOM 25 C LIG 1 9.544 0.098 -0.973 0.00 0.00 +0.020 C ATOM 26 C LIG 1 9.239 1.411 -0.267 0.00 0.00 +0.020 C ATOM 27 C LIG 1 7.953 1.118 0.510 0.00 0.00 +0.108 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 28 ATOM 28 N LIG 1 -1.392 1.314 0.107 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.357 1.000 0.015 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.128 2.642 0.326 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.036 3.183 0.433 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.368 3.463 0.391 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.252 3.495 1.543 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.343 4.282 1.504 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -4.660 5.110 0.310 0.00 0.00 +0.252 A ATOM 36 O LIG 1 -5.675 5.798 0.318 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -3.751 5.030 -0.741 0.00 0.00 -0.318 N ATOM 38 C LIG 1 -3.971 5.829 -1.937 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -2.626 4.222 -0.685 0.00 0.00 +0.102 A BRANCH 33 40 ATOM 40 C LIG 1 -2.906 2.672 2.744 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -1.646 2.893 3.186 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.734 2.917 3.793 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.015 1.345 2.480 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6