REMARK Name = BDB008353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.161 -0.966 -1.329 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.085 -2.015 -2.235 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.772 -1.978 -3.264 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.876 -3.145 -2.055 0.00 0.00 +0.039 A ATOM 5 C LIG 1 1.756 -3.212 -0.970 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.860 -2.146 -0.059 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.038 -1.024 -0.240 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 8 C LIG 1 -2.450 1.742 -0.791 0.00 0.00 +0.148 C ATOM 9 N LIG 1 -1.778 0.423 -0.741 0.00 0.00 -0.285 N ATOM 10 C LIG 1 -0.648 0.240 -1.532 0.00 0.00 +0.250 C ATOM 11 O LIG 1 -0.251 1.047 -2.366 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -2.345 -0.579 0.171 0.00 0.00 +0.133 C ATOM 13 C LIG 1 -3.803 -0.889 -0.212 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.869 -1.712 -1.500 0.00 0.00 +0.032 C ATOM 15 N LIG 1 -4.534 0.362 -0.348 0.00 0.00 -0.302 N ATOM 16 C LIG 1 -5.870 0.615 -0.181 0.00 0.00 +0.238 A ATOM 17 N LIG 1 -6.075 1.900 -0.412 0.00 0.00 -0.125 NA ATOM 18 N LIG 1 -4.869 2.489 -0.700 0.00 0.00 -0.132 NA ATOM 19 C LIG 1 -3.936 1.563 -0.639 0.00 0.00 +0.155 A BRANCH 16 20 ATOM 20 C LIG 1 -6.870 -0.407 0.210 0.00 0.00 +0.452 C ATOM 21 F LIG 1 -6.991 -1.382 -0.729 0.00 0.00 -0.163 F ATOM 22 F LIG 1 -6.509 -1.037 1.362 0.00 0.00 -0.163 F ATOM 23 F LIG 1 -8.112 0.097 0.415 0.00 0.00 -0.163 F ENDBRANCH 16 20 BRANCH 8 24 ATOM 24 C LIG 1 -1.927 2.699 0.315 0.00 0.00 +0.057 C BRANCH 24 26 ATOM 25 C LIG 1 0.397 2.769 1.287 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -0.445 2.969 0.265 0.00 0.00 -0.032 C ENDBRANCH 24 26 ENDBRANCH 8 24 ENDBRANCH 1 10 BRANCH 6 27 ATOM 27 C LIG 1 2.807 -2.262 1.118 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 3.361 -0.933 1.615 0.00 0.00 +0.074 A ATOM 29 C LIG 1 4.426 -0.238 0.848 0.00 0.00 +0.011 A ATOM 30 C LIG 1 4.873 0.984 1.347 0.00 0.00 +0.050 A ATOM 31 C LIG 1 5.870 1.706 0.679 0.00 0.00 +0.014 A ATOM 32 C LIG 1 6.419 1.201 -0.498 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.975 -0.020 -1.004 0.00 0.00 +0.001 A ATOM 34 C LIG 1 4.283 1.512 2.587 0.00 0.00 +0.272 A ATOM 35 O LIG 1 4.645 2.581 3.065 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 3.309 0.740 3.170 0.00 0.00 -0.242 N ATOM 37 H LIG 1 2.896 1.088 4.030 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 4.981 -0.741 -0.336 0.00 0.00 +0.010 A ATOM 39 N LIG 1 2.845 -0.452 2.708 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 6