REMARK Name = BDB026166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.772 -1.191 0.196 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.471 -0.517 0.270 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.649 -1.254 0.482 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.637 -2.655 0.622 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.396 -3.296 0.549 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.314 -4.630 0.670 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.782 -2.585 0.341 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.429 -1.151 -2.023 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.783 0.178 -1.605 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.434 0.900 -0.485 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.841 1.200 -0.704 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.120 0.392 0.871 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.882 -0.863 1.320 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.590 0.191 1.082 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.014 -0.588 -0.025 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.257 -0.025 -1.365 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.888 -3.405 0.837 0.00 0.00 -0.014 A ATOM 18 C LIG 1 4.006 -3.204 0.003 0.00 0.00 +0.024 A ATOM 19 C LIG 1 5.205 -3.912 0.198 0.00 0.00 +0.072 A ATOM 20 C LIG 1 5.282 -4.830 1.245 0.00 0.00 +0.136 A ATOM 21 F LIG 1 6.402 -5.532 1.477 0.00 0.00 -0.205 F ATOM 22 C LIG 1 4.193 -5.047 2.083 0.00 0.00 +0.040 A ATOM 23 C LIG 1 3.006 -4.340 1.879 0.00 0.00 +0.011 A BRANCH 19 24 ATOM 24 C LIG 1 6.336 -3.647 -0.729 0.00 0.00 +0.244 C ATOM 25 O LIG 1 6.233 -2.845 -1.650 0.00 0.00 -0.270 OA ATOM 26 N LIG 1 7.506 -4.323 -0.535 0.00 0.00 -0.325 N ATOM 27 H LIG 1 8.269 -4.141 -1.172 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 7.638 -5.001 0.206 0.00 0.00 +0.145 HD ENDBRANCH 19 24 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 0.480 0.889 0.139 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -0.433 1.298 0.002 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 1.561 1.735 0.077 0.00 0.00 +0.250 C ATOM 32 O LIG 1 2.751 1.452 0.095 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 1.158 3.162 -0.091 0.00 0.00 +0.062 A ATOM 34 C LIG 1 1.467 3.902 -1.303 0.00 0.00 +0.036 A ATOM 35 C LIG 1 1.106 5.195 -1.390 0.00 0.00 +0.080 A ATOM 36 C LIG 1 0.402 5.877 -0.271 0.00 0.00 +0.252 A ATOM 37 O LIG 1 0.094 7.058 -0.391 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 0.143 5.092 0.852 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -0.523 5.692 1.998 0.00 0.00 +0.152 C ATOM 40 C LIG 1 0.530 3.764 0.930 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 2.157 3.174 -2.420 0.00 0.00 +0.372 C ATOM 42 F LIG 1 1.382 2.143 -2.857 0.00 0.00 -0.204 F ATOM 43 F LIG 1 2.334 3.982 -3.503 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6