REMARK Name = BDB018608 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.071 -0.467 -0.747 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.156 0.099 -2.015 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.359 -0.318 -3.009 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.061 1.125 -2.266 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.909 1.567 -1.247 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.870 0.974 0.026 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.933 -0.041 0.271 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 2.838 0.597 1.218 0.00 0.00 +0.032 C ATOM 9 C LIG 1 3.169 0.124 -0.199 0.00 0.00 +0.105 C ATOM 10 N LIG 1 3.997 -1.063 -0.171 0.00 0.00 -0.305 N ATOM 11 C LIG 1 3.485 -2.329 -0.313 0.00 0.00 +0.151 A ATOM 12 N LIG 1 4.476 -3.192 -0.271 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 5.642 -2.484 -0.105 0.00 0.00 -0.129 NA ATOM 14 C LIG 1 2.040 -2.616 -0.513 0.00 0.00 +0.184 C ATOM 15 N LIG 1 1.226 -1.395 -0.558 0.00 0.00 -0.288 N ATOM 16 C LIG 1 -0.153 -1.582 -0.470 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -0.666 -2.643 -0.121 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 5.351 -1.198 -0.044 0.00 0.00 +0.168 A ATOM 19 C LIG 1 1.886 -0.160 -1.000 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 6.437 -0.106 0.144 0.00 0.00 +0.057 A ATOM 21 C LIG 1 7.782 -0.380 0.250 0.00 0.00 +0.119 A ATOM 22 N LIG 1 8.403 0.823 0.403 0.00 0.00 -0.274 N ATOM 23 C LIG 1 9.818 1.058 0.555 0.00 0.00 +0.172 C ATOM 24 N LIG 1 7.551 1.867 0.404 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 6.353 1.292 0.249 0.00 0.00 +0.146 A ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 26 ATOM 26 C LIG 1 -3.798 1.435 1.128 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 -5.259 1.504 0.703 0.00 0.00 +0.074 A ATOM 28 C LIG 1 -6.065 0.260 0.594 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -7.391 0.397 0.186 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -8.218 -0.726 0.054 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -7.712 -1.994 0.331 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.387 -2.139 0.740 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -7.918 1.739 -0.107 0.00 0.00 +0.272 A ATOM 34 O LIG 1 -9.078 1.908 -0.466 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -7.038 2.781 0.047 0.00 0.00 -0.242 N ATOM 36 H LIG 1 -7.387 3.715 -0.147 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 -5.563 -1.016 0.873 0.00 0.00 +0.010 A ATOM 38 N LIG 1 -5.740 2.684 0.438 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4