REMARK Name = BDB025924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.318 0.814 0.459 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.797 -0.360 -0.129 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.586 -0.560 -0.214 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.492 0.396 0.279 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.949 1.556 0.857 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.747 2.516 1.349 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.427 1.769 0.948 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.358 4.334 -0.449 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.962 3.181 0.483 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.045 2.669 1.363 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.409 2.855 0.890 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.761 1.317 1.916 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.538 0.156 1.263 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.241 0.985 1.908 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.724 0.970 0.518 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.234 2.077 -0.335 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.951 0.182 0.188 0.00 0.00 -0.022 C ATOM 18 C LIG 1 3.953 1.178 0.706 0.00 0.00 +0.147 C ATOM 19 N LIG 1 5.217 0.543 0.401 0.00 0.00 -0.259 N ATOM 20 C LIG 1 6.410 1.132 0.714 0.00 0.00 +0.404 C ATOM 21 O LIG 1 6.502 2.219 1.268 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 5.072 -0.734 -0.255 0.00 0.00 +0.139 C ATOM 23 C LIG 1 3.591 -0.874 -0.344 0.00 0.00 -0.002 C BRANCH 20 24 ATOM 24 O LIG 1 7.461 0.361 0.334 0.00 0.00 -0.445 OA BRANCH 24 25 ATOM 25 C LIG 1 8.826 0.792 0.567 0.00 0.00 +0.107 C ATOM 26 C LIG 1 9.143 2.079 -0.203 0.00 0.00 +0.055 C ATOM 27 C LIG 1 9.693 -0.343 0.000 0.00 0.00 +0.055 C ATOM 28 C LIG 1 9.120 0.931 2.064 0.00 0.00 +0.055 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.763 -1.270 -0.606 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.709 -0.918 -0.461 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.569 -2.497 -1.185 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.508 -3.075 -1.379 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.854 -3.164 -1.541 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -3.750 -2.695 -2.586 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -4.885 -3.378 -2.823 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.239 -4.592 -2.041 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -6.297 -5.165 -2.282 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.314 -4.983 -1.078 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -4.568 -6.178 -0.288 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -3.145 -4.275 -0.847 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -3.367 -1.492 -3.389 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.109 -1.570 -3.883 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.189 -1.302 -4.456 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.444 -0.357 -2.648 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 7