REMARK Name = BDB025965 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.125 -1.002 -0.248 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.173 -0.072 -0.745 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.196 -0.360 -0.708 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.655 -1.578 -0.186 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.707 -2.490 0.294 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.095 -3.662 0.820 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.660 -2.212 0.266 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.075 -0.197 3.223 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.643 -0.947 1.958 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.748 -1.740 1.347 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.911 -0.929 0.984 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.181 -2.498 0.196 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.210 -3.395 -0.502 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.440 -1.619 -0.855 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.490 -0.643 -0.276 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.947 0.026 0.968 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.105 -1.867 -0.136 0.00 0.00 -0.024 C ATOM 18 C LIG 1 3.985 -0.834 0.550 0.00 0.00 +0.143 C ATOM 19 N LIG 1 5.341 -1.348 0.777 0.00 0.00 -0.295 N ATOM 20 C LIG 1 5.930 -2.120 -0.316 0.00 0.00 +0.112 C ATOM 21 C LIG 1 5.048 -3.330 -0.648 0.00 0.00 +0.046 C ATOM 22 C LIG 1 3.586 -3.001 -0.680 0.00 0.00 -0.020 C BRANCH 19 23 ATOM 23 C LIG 1 6.192 -0.404 1.353 0.00 0.00 +0.218 A ATOM 24 N LIG 1 7.525 -0.540 1.198 0.00 0.00 -0.220 NA ATOM 25 C LIG 1 8.329 0.369 1.792 0.00 0.00 +0.154 A ATOM 26 C LIG 1 7.857 1.414 2.537 0.00 0.00 +0.160 A ATOM 27 F LIG 1 8.671 2.303 3.115 0.00 0.00 -0.202 F ATOM 28 C LIG 1 6.497 1.489 2.650 0.00 0.00 +0.154 A ATOM 29 N LIG 1 5.656 0.602 2.075 0.00 0.00 -0.220 NA ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -0.709 1.116 -1.289 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.727 1.121 -1.256 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.041 2.165 -1.867 0.00 0.00 +0.250 C ATOM 33 O LIG 1 1.165 2.293 -2.026 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -0.967 3.214 -2.376 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -1.684 4.148 -1.516 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -2.490 5.072 -2.078 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -2.652 5.139 -3.552 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -3.395 5.963 -4.069 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -1.924 4.227 -4.274 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -2.019 4.285 -5.282 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -1.095 3.290 -3.710 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -1.478 4.070 -0.036 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.017 2.935 0.477 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -0.171 4.092 0.315 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.073 5.100 0.622 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6