REMARK Name = BDB065426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.284 -3.716 -3.647 0.00 0.00 +0.045 C ATOM 2 C LIG 1 -0.276 -3.140 -2.688 0.00 0.00 -0.029 A ATOM 3 C LIG 1 -0.435 -1.850 -2.127 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.525 -1.396 -1.208 0.00 0.00 +0.036 A ATOM 5 C LIG 1 1.643 -2.176 -0.882 0.00 0.00 +0.039 A ATOM 6 C LIG 1 1.811 -3.428 -1.475 0.00 0.00 +0.013 A ATOM 7 C LIG 1 0.854 -3.910 -2.365 0.00 0.00 +0.006 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 2.706 -1.685 0.040 0.00 0.00 +0.248 C ATOM 9 N LIG 1 2.259 -0.925 1.105 0.00 0.00 -0.281 N ATOM 10 H LIG 1 1.258 -0.860 1.240 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 3.864 -2.012 -0.192 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 3.048 -0.304 2.097 0.00 0.00 +0.034 A ATOM 13 C LIG 1 4.444 -0.261 2.072 0.00 0.00 +0.035 A ATOM 14 C LIG 1 5.169 0.386 3.091 0.00 0.00 +0.057 A ATOM 15 C LIG 1 4.472 0.986 4.148 0.00 0.00 +0.012 A ATOM 16 C LIG 1 3.080 0.952 4.178 0.00 0.00 +0.002 A ATOM 17 C LIG 1 2.375 0.313 3.157 0.00 0.00 +0.023 A BRANCH 14 18 ATOM 18 C LIG 1 6.676 0.400 3.047 0.00 0.00 +0.417 C ATOM 19 F LIG 1 7.230 1.310 3.899 0.00 0.00 -0.166 F ATOM 20 F LIG 1 7.221 -0.801 3.386 0.00 0.00 -0.166 F ATOM 21 F LIG 1 7.171 0.706 1.815 0.00 0.00 -0.166 F ENDBRANCH 14 18 ENDBRANCH 9 12 ENDBRANCH 5 8 BRANCH 3 22 ATOM 22 N LIG 1 -1.567 -1.080 -2.459 0.00 0.00 -0.299 N ATOM 23 H LIG 1 -1.939 -1.263 -3.381 0.00 0.00 +0.154 HD BRANCH 22 24 ATOM 24 C LIG 1 -2.155 0.015 -1.822 0.00 0.00 +0.138 A ATOM 25 C LIG 1 -3.083 0.877 -2.408 0.00 0.00 +0.079 A ATOM 26 C LIG 1 -3.699 1.971 -1.754 0.00 0.00 +0.187 A ATOM 27 N LIG 1 -4.530 2.618 -2.575 0.00 0.00 -0.151 NA ATOM 28 N LIG 1 -4.435 1.935 -3.734 0.00 0.00 -0.272 N ATOM 29 C LIG 1 -5.214 2.370 -4.870 0.00 0.00 +0.172 C ATOM 30 N LIG 1 -3.440 2.273 -0.465 0.00 0.00 -0.206 NA ATOM 31 C LIG 1 -2.552 1.401 0.083 0.00 0.00 +0.166 A ATOM 32 C LIG 1 -3.574 0.870 -3.689 0.00 0.00 +0.121 A ATOM 33 N LIG 1 -1.917 0.334 -0.516 0.00 0.00 -0.212 NA BRANCH 31 34 ATOM 34 C LIG 1 -2.229 1.615 1.504 0.00 0.00 +0.037 A ATOM 35 C LIG 1 -1.658 0.608 2.282 0.00 0.00 +0.122 A ATOM 36 N LIG 1 -1.320 0.725 3.592 0.00 0.00 -0.263 NA ATOM 37 C LIG 1 -1.578 1.913 4.177 0.00 0.00 +0.111 A ATOM 38 C LIG 1 -2.150 2.983 3.513 0.00 0.00 +0.020 A ATOM 39 C LIG 1 -2.477 2.827 2.166 0.00 0.00 +0.014 A ENDBRANCH 31 34 ENDBRANCH 22 24 ENDBRANCH 3 22 TORSDOF 6