REMARK Name = BDB000287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.102 -0.529 0.863 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -0.949 0.236 0.596 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.330 -0.344 0.578 0.00 0.00 +0.079 A ATOM 4 N LIG 1 1.510 0.415 0.343 0.00 0.00 -0.265 N ATOM 5 C LIG 1 2.732 -0.232 0.148 0.00 0.00 +0.265 C ATOM 6 C LIG 1 2.652 -1.773 0.120 0.00 0.00 +0.290 C ATOM 7 O LIG 1 1.622 -2.390 0.879 0.00 0.00 -0.473 OA ATOM 8 O LIG 1 3.778 0.382 -0.070 0.00 0.00 -0.271 OA ATOM 9 C LIG 1 0.434 -1.717 0.832 0.00 0.00 +0.143 A ATOM 10 C LIG 1 -0.696 -2.484 1.120 0.00 0.00 +0.048 A ATOM 11 C LIG 1 -1.958 -1.895 1.131 0.00 0.00 +0.012 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 3.962 -2.410 0.563 0.00 0.00 +0.007 A ATOM 13 C LIG 1 4.318 -2.457 1.922 0.00 0.00 +0.046 A ATOM 14 C LIG 1 5.526 -3.032 2.311 0.00 0.00 +0.127 A ATOM 15 F LIG 1 5.845 -3.071 3.611 0.00 0.00 -0.205 F ATOM 16 C LIG 1 6.402 -3.564 1.377 0.00 0.00 +0.076 A ATOM 17 C LIG 1 6.056 -3.514 0.035 0.00 0.00 +0.127 A ATOM 18 F LIG 1 6.891 -4.022 -0.880 0.00 0.00 -0.205 F ATOM 19 C LIG 1 4.853 -2.945 -0.381 0.00 0.00 +0.046 A ENDBRANCH 6 12 BRANCH 1 21 ATOM 20 C LIG 1 -4.201 0.287 -0.265 0.00 0.00 +0.056 A ATOM 21 C LIG 1 -3.429 0.102 0.880 0.00 0.00 +0.043 A ATOM 22 C LIG 1 -4.010 0.576 2.061 0.00 0.00 +0.129 A ATOM 23 N LIG 1 -5.220 1.150 2.103 0.00 0.00 -0.199 NA ATOM 24 C LIG 1 -5.886 1.255 0.957 0.00 0.00 +0.214 A ATOM 25 N LIG 1 -5.423 0.865 -0.231 0.00 0.00 -0.219 NA BRANCH 22 26 ATOM 26 N LIG 1 -3.344 0.467 3.297 0.00 0.00 -0.343 N ATOM 27 H LIG 1 -2.440 0.926 3.242 0.00 0.00 +0.144 HD ATOM 28 H LIG 1 -3.175 -0.513 3.503 0.00 0.00 +0.144 HD ENDBRANCH 22 26 BRANCH 24 29 ATOM 29 N LIG 1 -7.127 1.854 0.991 0.00 0.00 -0.327 N ATOM 30 H LIG 1 -7.191 2.446 1.808 0.00 0.00 +0.145 HD ATOM 31 H LIG 1 -7.332 2.270 0.094 0.00 0.00 +0.145 HD ENDBRANCH 24 29 BRANCH 20 33 ATOM 32 C LIG 1 -4.252 -1.575 -1.947 0.00 0.00 +0.010 C ATOM 33 C LIG 1 -3.759 -0.171 -1.635 0.00 0.00 +0.053 C ENDBRANCH 20 33 ENDBRANCH 1 21 BRANCH 4 34 ATOM 34 C LIG 1 1.484 1.874 0.250 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 C LIG 1 1.255 2.352 -1.182 0.00 0.00 +0.047 C BRANCH 35 36 ATOM 36 C LIG 1 1.273 3.874 -1.263 0.00 0.00 +0.161 C BRANCH 36 37 ATOM 37 O LIG 1 0.907 4.322 -2.567 0.00 0.00 -0.383 OA ATOM 38 C LIG 1 1.984 4.289 -3.494 0.00 0.00 +0.193 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 9