REMARK Name = BDB063503 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.099 1.259 -1.336 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -5.130 -0.072 -1.748 0.00 0.00 +0.059 A ATOM 3 C LIG 1 -4.225 -0.999 -1.218 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -3.277 -0.613 -0.274 0.00 0.00 +0.011 A ATOM 5 C LIG 1 -2.349 -1.664 0.230 0.00 0.00 +0.074 A ATOM 6 N LIG 1 -2.452 -2.911 -0.129 0.00 0.00 -0.175 NA ATOM 7 N LIG 1 -3.402 -3.258 -1.033 0.00 0.00 -0.242 N ATOM 8 H LIG 1 -3.422 -4.232 -1.319 0.00 0.00 +0.192 HD ATOM 9 C LIG 1 -3.262 0.716 0.160 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -4.290 -2.406 -1.640 0.00 0.00 +0.273 A ATOM 11 O LIG 1 -5.102 -2.788 -2.472 0.00 0.00 -0.266 OA ATOM 12 C LIG 1 -4.167 1.647 -0.374 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 -6.042 2.057 -1.921 0.00 0.00 -0.484 OA BRANCH 13 14 ATOM 14 C LIG 1 -5.976 3.470 -1.715 0.00 0.00 +0.303 C BRANCH 14 17 ATOM 15 C LIG 1 -8.931 2.865 -1.074 0.00 0.00 +0.152 C ATOM 16 N LIG 1 -8.008 3.517 -0.170 0.00 0.00 -0.309 N ATOM 17 C LIG 1 -6.681 3.813 -0.440 0.00 0.00 +0.149 A ATOM 18 N LIG 1 -6.117 4.431 0.589 0.00 0.00 -0.235 NA ATOM 19 C LIG 1 -7.077 4.506 1.560 0.00 0.00 +0.164 A ATOM 20 C LIG 1 -8.246 3.935 1.116 0.00 0.00 +0.215 A BRANCH 20 21 ATOM 21 N LIG 1 -9.469 3.791 1.831 0.00 0.00 +0.075 N ATOM 22 O LIG 1 -9.482 4.227 2.988 0.00 0.00 -0.125 OA ATOM 23 O LIG 1 -10.416 3.249 1.257 0.00 0.00 -0.125 OA ENDBRANCH 20 21 ENDBRANCH 14 17 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 5 24 ATOM 24 C LIG 1 -1.265 -1.290 1.241 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 -0.015 -2.141 1.146 0.00 0.00 -0.041 A ATOM 26 C LIG 1 1.027 -1.776 0.281 0.00 0.00 +0.020 A ATOM 27 C LIG 1 2.165 -2.586 0.163 0.00 0.00 +0.072 A ATOM 28 C LIG 1 2.237 -3.788 0.863 0.00 0.00 +0.135 A ATOM 29 F LIG 1 3.285 -4.608 0.718 0.00 0.00 -0.205 F ATOM 30 C LIG 1 1.214 -4.159 1.730 0.00 0.00 +0.039 A ATOM 31 C LIG 1 0.093 -3.335 1.877 0.00 0.00 +0.007 A BRANCH 27 32 ATOM 32 C LIG 1 3.212 -2.183 -0.792 0.00 0.00 +0.249 C ATOM 33 N LIG 1 4.509 -1.944 -0.345 0.00 0.00 -0.294 N ATOM 34 C LIG 1 4.924 -1.914 1.067 0.00 0.00 +0.127 C ATOM 35 C LIG 1 6.449 -1.878 1.248 0.00 0.00 +0.127 C ATOM 36 N LIG 1 7.085 -0.807 0.481 0.00 0.00 -0.298 N ATOM 37 C LIG 1 8.269 -0.263 0.954 0.00 0.00 +0.219 C ATOM 38 O LIG 1 8.831 -0.649 1.971 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 6.434 -0.415 -0.775 0.00 0.00 +0.127 C ATOM 40 C LIG 1 5.509 -1.509 -1.326 0.00 0.00 +0.127 C ATOM 41 O LIG 1 2.862 -2.012 -1.958 0.00 0.00 -0.270 OA BRANCH 37 42 ATOM 42 C LIG 1 8.861 0.856 0.167 0.00 0.00 +0.075 C ATOM 43 C LIG 1 9.786 0.559 -0.993 0.00 0.00 +0.013 C ATOM 44 C LIG 1 10.344 1.152 0.264 0.00 0.00 +0.013 C ENDBRANCH 37 42 ENDBRANCH 27 32 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 8