REMARK Name = BDB008361 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.460 -2.100 0.874 0.00 0.00 +0.032 C ATOM 2 C LIG 1 4.026 -0.652 0.647 0.00 0.00 +0.105 C ATOM 3 N LIG 1 4.890 0.166 -0.190 0.00 0.00 -0.302 N ATOM 4 C LIG 1 4.381 1.257 -0.857 0.00 0.00 +0.155 A ATOM 5 N LIG 1 5.311 1.748 -1.642 0.00 0.00 -0.132 NA ATOM 6 N LIG 1 6.465 1.052 -1.408 0.00 0.00 -0.125 NA ATOM 7 C LIG 1 2.991 1.769 -0.655 0.00 0.00 +0.153 C ATOM 8 N LIG 1 2.072 0.646 -0.329 0.00 0.00 -0.285 N ATOM 9 C LIG 1 0.709 0.875 -0.552 0.00 0.00 +0.250 C ATOM 10 O LIG 1 0.250 1.989 -0.797 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 6.229 0.133 -0.486 0.00 0.00 +0.238 A ATOM 12 C LIG 1 2.625 -0.677 -0.003 0.00 0.00 +0.133 C ENDROOT BRANCH 9 13 ATOM 13 C LIG 1 -0.259 -0.227 -0.427 0.00 0.00 +0.072 A ATOM 14 C LIG 1 -0.243 -1.306 -1.305 0.00 0.00 +0.135 A ATOM 15 F LIG 1 0.680 -1.393 -2.272 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -1.187 -2.319 -1.187 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -2.173 -2.239 -0.200 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -2.236 -1.131 0.661 0.00 0.00 -0.041 A ATOM 19 C LIG 1 -1.260 -0.129 0.547 0.00 0.00 +0.020 A BRANCH 18 20 ATOM 20 C LIG 1 -3.313 -1.025 1.719 0.00 0.00 +0.093 C BRANCH 20 21 ATOM 21 C LIG 1 -4.716 -1.293 1.190 0.00 0.00 +0.074 A ATOM 22 C LIG 1 -5.429 -0.253 0.404 0.00 0.00 +0.011 A ATOM 23 C LIG 1 -6.705 -0.571 -0.059 0.00 0.00 +0.050 A ATOM 24 C LIG 1 -7.443 0.351 -0.810 0.00 0.00 +0.014 A ATOM 25 C LIG 1 -6.900 1.601 -1.100 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -5.625 1.927 -0.639 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -7.272 -1.894 0.248 0.00 0.00 +0.272 A ATOM 28 O LIG 1 -8.390 -2.217 -0.136 0.00 0.00 -0.266 OA ATOM 29 N LIG 1 -6.477 -2.736 0.987 0.00 0.00 -0.242 N ATOM 30 H LIG 1 -6.856 -3.651 1.211 0.00 0.00 +0.192 HD ATOM 31 C LIG 1 -4.889 1.005 0.113 0.00 0.00 +0.010 A ATOM 32 N LIG 1 -5.230 -2.460 1.451 0.00 0.00 -0.175 NA ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 9 13 BRANCH 11 33 ATOM 33 C LIG 1 7.242 -0.749 0.142 0.00 0.00 +0.452 C ATOM 34 F LIG 1 7.140 -0.732 1.499 0.00 0.00 -0.163 F ATOM 35 F LIG 1 7.099 -2.044 -0.242 0.00 0.00 -0.163 F ATOM 36 F LIG 1 8.519 -0.395 -0.151 0.00 0.00 -0.163 F ENDBRANCH 11 33 BRANCH 7 37 ATOM 37 C LIG 1 2.939 2.831 0.451 0.00 0.00 +0.143 C BRANCH 37 38 ATOM 38 C LIG 1 3.620 4.118 0.054 0.00 0.00 +0.392 C ATOM 39 F LIG 1 3.345 5.074 0.977 0.00 0.00 -0.171 F ATOM 40 F LIG 1 3.192 4.574 -1.138 0.00 0.00 -0.171 F ATOM 41 F LIG 1 4.960 3.994 0.017 0.00 0.00 -0.171 F ENDBRANCH 37 38 ENDBRANCH 7 37 TORSDOF 6