REMARK Name = BDB036755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.290 -1.372 -0.836 0.00 0.00 +0.183 C ATOM 2 C LIG 1 -1.395 -2.046 0.015 0.00 0.00 +0.235 C ATOM 3 O LIG 1 -0.986 -2.822 1.145 0.00 0.00 -0.357 OA ATOM 4 C LIG 1 0.384 -2.777 1.517 0.00 0.00 +0.175 C ATOM 5 C LIG 1 1.263 -3.108 0.307 0.00 0.00 +0.172 C ATOM 6 C LIG 1 1.024 -2.188 -0.907 0.00 0.00 +0.171 C ENDROOT BRANCH 6 7 ATOM 7 N LIG 1 2.176 -1.340 -1.208 0.00 0.00 -0.243 N ATOM 8 N LIG 1 2.879 -1.548 -2.338 0.00 0.00 -0.065 NA ATOM 9 N LIG 1 3.826 -0.625 -2.402 0.00 0.00 -0.129 NA ATOM 10 C LIG 1 3.721 0.177 -1.297 0.00 0.00 +0.113 A ATOM 11 C LIG 1 2.660 -0.255 -0.532 0.00 0.00 +0.139 A BRANCH 10 12 ATOM 12 C LIG 1 4.607 1.296 -1.030 0.00 0.00 +0.009 A ATOM 13 C LIG 1 5.635 1.595 -1.937 0.00 0.00 +0.050 A ATOM 14 C LIG 1 6.499 2.665 -1.702 0.00 0.00 +0.145 A ATOM 15 F LIG 1 7.466 2.916 -2.597 0.00 0.00 -0.204 F ATOM 16 C LIG 1 6.363 3.456 -0.567 0.00 0.00 +0.111 A ATOM 17 CL LIG 1 7.431 4.775 -0.282 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 5.346 3.161 0.334 0.00 0.00 +0.145 A ATOM 19 F LIG 1 5.180 3.898 1.443 0.00 0.00 -0.204 F ATOM 20 C LIG 1 4.473 2.094 0.113 0.00 0.00 +0.050 A ENDBRANCH 10 12 ENDBRANCH 6 7 BRANCH 2 21 ATOM 21 C LIG 1 -2.329 -0.929 0.545 0.00 0.00 +0.251 C ATOM 22 N LIG 1 -3.494 -0.612 -0.170 0.00 0.00 -0.272 N ATOM 23 C LIG 1 -4.053 -1.516 -1.175 0.00 0.00 +0.138 C ATOM 24 O LIG 1 -2.014 -0.325 1.579 0.00 0.00 -0.272 OA BRANCH 22 25 ATOM 25 C LIG 1 -4.356 0.421 0.338 0.00 0.00 +0.049 A ATOM 26 C LIG 1 -3.904 1.729 0.621 0.00 0.00 +0.076 A ATOM 27 C LIG 1 -4.810 2.659 1.183 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -6.139 2.322 1.429 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -6.586 1.047 1.114 0.00 0.00 +0.043 A ATOM 30 CL LIG 1 -8.226 0.619 1.405 0.00 0.00 -0.083 Cl ATOM 31 C LIG 1 -5.710 0.106 0.573 0.00 0.00 +0.044 A BRANCH 26 32 ATOM 32 C LIG 1 -2.518 2.248 0.304 0.00 0.00 +0.419 C ATOM 33 F LIG 1 -2.569 3.498 -0.255 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -1.803 1.509 -0.592 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -1.724 2.392 1.402 0.00 0.00 -0.166 F ENDBRANCH 26 32 ENDBRANCH 22 25 ENDBRANCH 2 21 BRANCH 1 37 ATOM 36 C LIG 1 -0.249 -0.190 -2.949 0.00 0.00 +0.194 C ATOM 37 O LIG 1 -0.872 -1.187 -2.147 0.00 0.00 -0.374 OA ENDBRANCH 1 37 BRANCH 5 38 ATOM 38 O LIG 1 2.636 -3.277 0.654 0.00 0.00 -0.387 OA ATOM 39 H LIG 1 2.842 -2.658 1.389 0.00 0.00 +0.210 HD ENDBRANCH 5 38 BRANCH 4 40 ATOM 40 C LIG 1 0.744 -1.511 2.308 0.00 0.00 +0.190 C BRANCH 40 41 ATOM 41 O LIG 1 2.139 -1.480 2.599 0.00 0.00 -0.392 OA ATOM 42 H LIG 1 2.255 -0.844 3.331 0.00 0.00 +0.210 HD ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 9