REMARK Name = BDB026053 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.018 -0.090 0.210 0.00 0.00 +0.022 A ATOM 2 C LIG 1 -0.561 0.733 -0.759 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.212 1.363 -1.657 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.936 0.967 -0.809 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.814 0.377 0.110 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -2.253 -0.546 1.028 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.857 -0.721 1.107 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -4.154 0.778 0.189 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -4.893 1.222 -1.012 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -5.246 2.746 -1.082 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.468 3.458 -2.199 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.313 3.480 0.208 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -4.133 4.289 0.509 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -5.591 2.523 1.298 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -4.502 1.446 1.469 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 4.199 -0.743 0.420 0.00 0.00 +0.218 A ATOM 17 N LIG 1 3.516 -0.513 1.553 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 2.186 -0.300 1.458 0.00 0.00 +0.124 A ATOM 19 C LIG 1 1.468 -0.308 0.279 0.00 0.00 +0.021 A ATOM 20 C LIG 1 2.263 -0.547 -0.824 0.00 0.00 +0.124 A ATOM 21 N LIG 1 3.596 -0.768 -0.779 0.00 0.00 -0.222 NA BRANCH 16 25 ATOM 22 N LIG 1 8.489 -0.509 0.427 0.00 0.00 -0.297 NA ATOM 23 C LIG 1 7.780 -1.402 -0.511 0.00 0.00 +0.103 C ATOM 24 C LIG 1 6.296 -1.053 -0.769 0.00 0.00 +0.123 C ATOM 25 N LIG 1 5.552 -0.987 0.489 0.00 0.00 -0.297 N ATOM 26 C LIG 1 6.291 -0.595 1.691 0.00 0.00 +0.123 C ATOM 27 C LIG 1 7.555 0.213 1.317 0.00 0.00 +0.103 C BRANCH 22 29 ATOM 28 C LIG 1 9.029 1.239 -1.331 0.00 0.00 +0.024 C ATOM 29 C LIG 1 9.510 0.374 -0.159 0.00 0.00 +0.051 C ATOM 30 C LIG 1 10.740 -0.444 -0.573 0.00 0.00 +0.024 C ENDBRANCH 22 29 ENDBRANCH 16 25 ENDBRANCH 1 19 BRANCH 6 31 ATOM 31 N LIG 1 -3.009 -1.353 1.904 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.583 -1.607 2.787 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -4.205 -1.997 1.727 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -4.742 -2.521 2.704 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -4.807 -2.192 0.371 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -6.242 -2.062 0.129 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -6.717 -2.264 -1.115 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -5.825 -2.647 -2.236 0.00 0.00 +0.252 A ATOM 39 O LIG 1 -6.299 -2.762 -3.361 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -4.493 -2.855 -1.901 0.00 0.00 -0.318 N ATOM 41 C LIG 1 -3.555 -3.270 -2.932 0.00 0.00 +0.152 C ATOM 42 C LIG 1 -4.012 -2.631 -0.621 0.00 0.00 +0.102 A BRANCH 36 43 ATOM 43 C LIG 1 -7.163 -1.693 1.254 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -6.732 -0.625 1.970 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -7.372 -2.719 2.114 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -8.397 -1.343 0.789 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 7