REMARK Name = BDB020481 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.665 1.793 -2.169 0.00 0.00 +0.041 C ATOM 2 C LIG 1 3.694 1.982 -0.655 0.00 0.00 +0.171 C ATOM 3 N LIG 1 2.540 1.373 -0.019 0.00 0.00 -0.317 N ATOM 4 C LIG 1 1.391 2.073 0.242 0.00 0.00 +0.064 A ATOM 5 C LIG 1 0.559 1.164 0.859 0.00 0.00 +0.094 A ATOM 6 N LIG 1 1.183 -0.057 0.968 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 1.284 3.487 -0.160 0.00 0.00 +0.163 C ATOM 8 N LIG 1 2.585 4.121 0.022 0.00 0.00 -0.297 N ATOM 9 C LIG 1 2.594 5.566 0.173 0.00 0.00 +0.132 C ATOM 10 C LIG 1 2.383 0.097 0.446 0.00 0.00 +0.117 A ATOM 11 C LIG 1 3.769 3.478 -0.336 0.00 0.00 +0.238 C ATOM 12 O LIG 1 4.843 4.075 -0.437 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 -0.792 1.408 1.329 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -1.896 0.644 0.851 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -3.188 0.930 1.326 0.00 0.00 +0.072 A ATOM 16 N LIG 1 -4.279 0.272 0.908 0.00 0.00 -0.246 NA ATOM 17 C LIG 1 -4.159 -0.727 -0.009 0.00 0.00 +0.083 A ATOM 18 C LIG 1 -2.930 -1.123 -0.517 0.00 0.00 +0.044 A ATOM 19 C LIG 1 -3.354 1.939 2.264 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -2.277 2.677 2.754 0.00 0.00 +0.003 A ATOM 21 C LIG 1 -1.802 -0.405 -0.089 0.00 0.00 +0.022 A ATOM 22 C LIG 1 -0.997 2.409 2.288 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 -5.432 -1.311 -0.396 0.00 0.00 +0.038 A ATOM 24 C LIG 1 -6.473 -1.541 0.484 0.00 0.00 +0.118 A ATOM 25 N LIG 1 -7.496 -2.055 -0.254 0.00 0.00 -0.274 N ATOM 26 C LIG 1 -8.794 -2.460 0.226 0.00 0.00 +0.172 C ATOM 27 N LIG 1 -7.211 -2.162 -1.564 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 -5.958 -1.701 -1.648 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 -2.753 -2.254 -1.483 0.00 0.00 +0.374 C ATOM 30 F LIG 1 -3.080 -1.905 -2.759 0.00 0.00 -0.204 F ATOM 31 F LIG 1 -3.493 -3.357 -1.186 0.00 0.00 -0.204 F ENDBRANCH 18 29 ENDBRANCH 5 13 BRANCH 10 32 ATOM 32 C LIG 1 3.456 -1.033 0.413 0.00 0.00 +0.083 C ATOM 33 C LIG 1 3.635 -1.740 -0.944 0.00 0.00 +0.097 C ATOM 34 N LIG 1 3.637 -3.056 -0.262 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 3.000 -2.417 0.921 0.00 0.00 +0.097 C BRANCH 34 36 ATOM 36 C LIG 1 5.004 -3.497 0.062 0.00 0.00 +0.118 C BRANCH 36 37 ATOM 37 C LIG 1 5.666 -4.206 -1.117 0.00 0.00 +0.228 C ATOM 38 F LIG 1 6.931 -4.563 -0.757 0.00 0.00 -0.248 F ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 10 32 TORSDOF 6