REMARK Name = BDB006196 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.282 -0.584 0.030 0.00 0.00 +0.097 C ATOM 2 N LIG 1 -1.844 -1.771 -0.771 0.00 0.00 -0.252 N ATOM 3 C LIG 1 -0.846 -2.400 -1.560 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -0.936 -3.313 -2.365 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 0.384 -1.744 -1.190 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.651 -1.976 -1.499 0.00 0.00 -0.161 NA ATOM 7 N LIG 1 2.310 -0.969 -0.854 0.00 0.00 -0.232 N ATOM 8 C LIG 1 1.491 -0.390 0.146 0.00 0.00 +0.054 A ATOM 9 C LIG 1 0.201 -0.742 -0.238 0.00 0.00 +0.035 A ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -3.235 -2.152 -0.778 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -4.190 -1.511 0.029 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -5.539 -1.893 0.023 0.00 0.00 +0.078 A ATOM 13 CL LIG 1 -6.653 -1.063 1.043 0.00 0.00 -0.081 Cl ATOM 14 C LIG 1 -5.966 -2.929 -0.792 0.00 0.00 +0.142 A ATOM 15 F LIG 1 -7.251 -3.311 -0.813 0.00 0.00 -0.204 F ATOM 16 C LIG 1 -5.055 -3.587 -1.599 0.00 0.00 +0.041 A ATOM 17 C LIG 1 -3.707 -3.202 -1.588 0.00 0.00 +0.026 A ENDBRANCH 2 10 BRANCH 1 18 ATOM 18 C LIG 1 -1.463 -0.794 1.538 0.00 0.00 -0.019 A ATOM 19 C LIG 1 -1.944 0.220 2.387 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -2.151 -0.011 3.752 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -1.893 -1.266 4.294 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -2.150 -1.544 5.971 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -1.431 -2.294 3.483 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -1.219 -2.061 2.120 0.00 0.00 +0.007 A ENDBRANCH 1 18 BRANCH 7 25 ATOM 25 C LIG 1 3.658 -0.695 -1.219 0.00 0.00 +0.107 A ATOM 26 C LIG 1 4.177 0.612 -1.253 0.00 0.00 +0.145 A ATOM 27 C LIG 1 5.525 0.792 -1.594 0.00 0.00 +0.048 A ATOM 28 C LIG 1 6.328 -0.299 -1.944 0.00 0.00 +0.004 A ATOM 29 C LIG 1 5.792 -1.581 -1.972 0.00 0.00 +0.002 A ATOM 30 C LIG 1 4.459 -1.780 -1.622 0.00 0.00 +0.031 A BRANCH 26 31 ATOM 31 O LIG 1 3.311 1.648 -1.020 0.00 0.00 -0.493 OA ATOM 32 C LIG 1 3.783 2.972 -1.238 0.00 0.00 +0.277 C ENDBRANCH 26 31 ENDBRANCH 7 25 BRANCH 8 33 ATOM 33 C LIG 1 2.103 0.289 1.355 0.00 0.00 +0.032 C ATOM 34 C LIG 1 2.095 -0.638 2.573 0.00 0.00 +0.014 C ATOM 35 C LIG 1 1.497 1.638 1.708 0.00 0.00 +0.014 C ENDBRANCH 8 33 BRANCH 1 36 ATOM 36 C LIG 1 -1.838 0.714 -0.645 0.00 0.00 +0.047 C BRANCH 36 37 ATOM 37 C LIG 1 -1.023 2.001 -0.516 0.00 0.00 +0.123 C BRANCH 37 38 ATOM 38 C LIG 1 -1.686 3.147 -1.243 0.00 0.00 +0.307 C ATOM 39 O LIG 1 -2.825 3.134 -1.686 0.00 0.00 -0.251 OA BRANCH 38 41 ATOM 40 C LIG 1 -1.368 5.349 -1.969 0.00 0.00 +0.280 C ATOM 41 O LIG 1 -0.831 4.206 -1.302 0.00 0.00 -0.468 OA ENDBRANCH 38 41 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 1 36 TORSDOF 9