REMARK Name = BDB020477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.507 1.147 2.638 0.00 0.00 +0.041 C ATOM 2 C LIG 1 -3.639 1.719 1.230 0.00 0.00 +0.171 C ATOM 3 N LIG 1 -2.519 1.333 0.390 0.00 0.00 -0.317 N ATOM 4 C LIG 1 -1.400 2.112 0.258 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.593 1.417 -0.615 0.00 0.00 +0.094 A ATOM 6 N LIG 1 -1.207 0.256 -1.016 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 -1.289 3.379 1.002 0.00 0.00 +0.163 C ATOM 8 N LIG 1 -2.609 3.995 1.070 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -2.651 5.429 1.298 0.00 0.00 +0.132 C ATOM 10 C LIG 1 -2.376 0.232 -0.408 0.00 0.00 +0.117 A ATOM 11 C LIG 1 -3.757 3.244 1.315 0.00 0.00 +0.238 C ATOM 12 O LIG 1 -4.834 3.759 1.627 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 0.726 1.813 -1.067 0.00 0.00 +0.011 A ATOM 14 C LIG 1 1.881 1.041 -0.756 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.140 1.473 -1.214 0.00 0.00 +0.072 A ATOM 16 N LIG 1 4.277 0.807 -0.957 0.00 0.00 -0.246 NA ATOM 17 C LIG 1 4.226 -0.347 -0.247 0.00 0.00 +0.083 A ATOM 18 C LIG 1 3.049 -0.853 0.287 0.00 0.00 +0.044 A ATOM 19 C LIG 1 3.221 2.638 -1.964 0.00 0.00 +0.028 A ATOM 20 C LIG 1 2.092 3.392 -2.284 0.00 0.00 +0.003 A ATOM 21 C LIG 1 1.870 -0.148 0.007 0.00 0.00 +0.022 A ATOM 22 C LIG 1 0.844 2.978 -1.837 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.523 -0.972 -0.076 0.00 0.00 +0.038 A ATOM 24 C LIG 1 5.827 -2.296 -0.318 0.00 0.00 +0.118 A ATOM 25 N LIG 1 7.166 -2.427 -0.081 0.00 0.00 -0.274 N ATOM 26 C LIG 1 7.957 -3.627 -0.210 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.758 -1.280 0.298 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.765 -0.387 0.255 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 3.001 -2.089 1.130 0.00 0.00 +0.374 C ATOM 30 F LIG 1 1.880 -2.156 1.910 0.00 0.00 -0.204 F ATOM 31 F LIG 1 2.993 -3.233 0.391 0.00 0.00 -0.204 F ENDBRANCH 18 29 ENDBRANCH 5 13 BRANCH 10 32 ATOM 32 C LIG 1 -3.436 -0.888 -0.632 0.00 0.00 +0.083 C ATOM 33 C LIG 1 -2.981 -2.098 -1.477 0.00 0.00 +0.097 C ATOM 34 N LIG 1 -3.592 -3.015 -0.479 0.00 0.00 -0.293 NA ATOM 35 C LIG 1 -3.583 -1.911 0.509 0.00 0.00 +0.097 C BRANCH 34 36 ATOM 36 C LIG 1 -4.978 -3.385 -0.858 0.00 0.00 +0.198 C BRANCH 36 37 ATOM 37 C LIG 1 -5.111 -4.507 -1.902 0.00 0.00 +0.402 C ATOM 38 F LIG 1 -4.595 -4.150 -3.098 0.00 0.00 -0.169 F ATOM 39 F LIG 1 -4.511 -5.649 -1.505 0.00 0.00 -0.169 F ATOM 40 F LIG 1 -6.422 -4.792 -2.105 0.00 0.00 -0.169 F ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 10 32 TORSDOF 6