REMARK Name = BDB006738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.464 1.900 1.643 0.00 0.00 +0.068 C ATOM 2 C LIG 1 3.039 0.887 0.649 0.00 0.00 +0.066 A ATOM 3 C LIG 1 1.752 0.421 0.361 0.00 0.00 +0.030 A ATOM 4 C LIG 1 0.330 0.541 0.728 0.00 0.00 +0.146 C ATOM 5 N LIG 1 -0.304 -0.444 -0.220 0.00 0.00 -0.253 N ATOM 6 C LIG 1 0.678 -1.048 -1.066 0.00 0.00 +0.270 C ATOM 7 O LIG 1 0.545 -1.849 -1.975 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 1.909 -0.489 -0.636 0.00 0.00 +0.129 A ATOM 9 N LIG 1 3.223 -0.583 -0.902 0.00 0.00 -0.256 N ATOM 10 N LIG 1 3.945 0.290 -0.152 0.00 0.00 -0.175 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -1.672 -0.730 -0.201 0.00 0.00 +0.055 A ATOM 12 C LIG 1 -2.522 -0.152 0.676 0.00 0.00 +0.118 A ATOM 13 N LIG 1 -3.878 -0.462 0.648 0.00 0.00 -0.285 N ATOM 14 C LIG 1 -4.443 -1.359 -0.236 0.00 0.00 +0.164 A ATOM 15 N LIG 1 -5.736 -1.443 -0.011 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 -6.041 -0.593 1.026 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 -3.586 -2.002 -1.181 0.00 0.00 -0.004 A ATOM 18 C LIG 1 -4.105 -2.997 -2.188 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -4.928 -0.004 1.416 0.00 0.00 +0.135 A ATOM 20 C LIG 1 -4.798 0.996 2.498 0.00 0.00 +0.088 C ATOM 21 C LIG 1 -2.267 -1.687 -1.147 0.00 0.00 +0.032 A ENDBRANCH 5 11 BRANCH 4 22 ATOM 22 C LIG 1 -0.040 1.995 0.502 0.00 0.00 -0.022 A ATOM 23 C LIG 1 -0.294 2.519 -0.779 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -0.634 3.865 -0.948 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -0.718 4.702 0.161 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -1.136 6.357 -0.046 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -0.465 4.207 1.437 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -0.127 2.862 1.607 0.00 0.00 +0.007 A ENDBRANCH 4 22 BRANCH 9 29 ATOM 29 C LIG 1 3.896 -1.427 -1.861 0.00 0.00 +0.184 C BRANCH 29 30 ATOM 30 C LIG 1 4.397 -2.752 -1.294 0.00 0.00 +0.239 C BRANCH 30 31 ATOM 31 C LIG 1 5.329 -2.596 -0.088 0.00 0.00 +0.417 C ATOM 32 F LIG 1 6.369 -1.780 -0.354 0.00 0.00 -0.168 F ATOM 33 F LIG 1 4.700 -2.171 1.024 0.00 0.00 -0.168 F ATOM 34 F LIG 1 5.851 -3.817 0.211 0.00 0.00 -0.168 F ENDBRANCH 30 31 BRANCH 30 35 ATOM 35 O LIG 1 3.282 -3.631 -1.029 0.00 0.00 -0.381 OA ATOM 36 H LIG 1 3.629 -4.422 -0.574 0.00 0.00 +0.210 HD ENDBRANCH 30 35 ENDBRANCH 29 30 ENDBRANCH 9 29 TORSDOF 6