REMARK Name = BDB007219 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.269 -0.500 0.326 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -6.638 -1.361 -0.712 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -5.642 -1.794 -1.590 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -4.307 -1.344 -1.470 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -3.289 -1.881 -2.422 0.00 0.00 +0.132 C ATOM 6 C LIG 1 -1.907 -1.276 -2.391 0.00 0.00 +0.225 C ATOM 7 N LIG 1 -1.586 -0.337 -1.415 0.00 0.00 -0.260 N ATOM 8 C LIG 1 -2.516 0.049 -0.317 0.00 0.00 +0.142 C ATOM 9 O LIG 1 -1.107 -1.695 -3.238 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -3.951 -0.450 -0.464 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -4.951 -0.046 0.442 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -2.506 1.576 -0.095 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -2.797 2.461 -1.151 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.792 3.844 -0.944 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -2.502 4.353 0.321 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -2.491 6.054 0.578 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.222 3.492 1.382 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -2.226 2.109 1.177 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 -0.234 0.180 -1.373 0.00 0.00 +0.037 A ATOM 20 C LIG 1 0.424 0.542 -2.556 0.00 0.00 +0.024 A ATOM 21 C LIG 1 1.715 1.085 -2.535 0.00 0.00 +0.007 A ATOM 22 C LIG 1 2.400 1.274 -1.330 0.00 0.00 -0.030 A ATOM 23 C LIG 1 1.744 0.907 -0.146 0.00 0.00 +0.007 A ATOM 24 C LIG 1 0.448 0.372 -0.166 0.00 0.00 +0.024 A BRANCH 22 25 ATOM 25 C LIG 1 3.810 1.861 -1.266 0.00 0.00 +0.084 C ATOM 26 C LIG 1 3.970 3.117 -2.144 0.00 0.00 +0.029 C BRANCH 25 27 ATOM 27 N LIG 1 4.927 0.901 -1.511 0.00 0.00 -0.296 NA ATOM 28 C LIG 1 4.836 0.232 -2.810 0.00 0.00 +0.105 C BRANCH 27 29 ATOM 29 C LIG 1 5.163 -0.029 -0.375 0.00 0.00 +0.057 C ATOM 30 C LIG 1 5.729 0.731 0.859 0.00 0.00 +0.020 C ATOM 31 C LIG 1 7.146 0.312 1.251 0.00 0.00 +0.020 C ATOM 32 C LIG 1 7.228 -1.195 1.561 0.00 0.00 +0.056 C ATOM 33 C LIG 1 6.432 -2.036 0.540 0.00 0.00 +0.020 C ATOM 34 C LIG 1 6.063 -1.245 -0.713 0.00 0.00 +0.020 C BRANCH 32 35 ATOM 35 N LIG 1 8.632 -1.599 1.788 0.00 0.00 -0.305 NA ATOM 36 C LIG 1 8.727 -2.850 2.538 0.00 0.00 +0.104 C ATOM 37 C LIG 1 9.451 -1.669 0.576 0.00 0.00 +0.104 C ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 38 ATOM 38 O LIG 1 -7.960 -1.711 -0.785 0.00 0.00 -0.491 OA ATOM 39 C LIG 1 -8.370 -2.522 -1.881 0.00 0.00 +0.277 C ENDBRANCH 2 38 BRANCH 1 40 ATOM 40 O LIG 1 -7.171 0.023 1.217 0.00 0.00 -0.485 OA BRANCH 40 41 ATOM 41 C LIG 1 -7.709 -0.957 2.122 0.00 0.00 +0.170 C ATOM 42 C LIG 1 -9.220 -0.744 2.189 0.00 0.00 +0.052 C BRANCH 41 44 ATOM 43 C LIG 1 -7.160 0.596 4.103 0.00 0.00 +0.007 C ATOM 44 C LIG 1 -7.035 -0.794 3.496 0.00 0.00 +0.041 C ENDBRANCH 41 44 ENDBRANCH 40 41 ENDBRANCH 1 40 TORSDOF 10