REMARK Name = BDB018971 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.671 3.250 0.190 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -2.483 2.637 0.617 0.00 0.00 +0.026 A ATOM 3 C LIG 1 -2.304 1.251 0.410 0.00 0.00 +0.043 A ATOM 4 C LIG 1 -1.271 0.294 0.681 0.00 0.00 +0.155 A ATOM 5 N LIG 1 -1.603 -0.907 0.199 0.00 0.00 -0.154 NA ATOM 6 N LIG 1 -2.829 -0.749 -0.326 0.00 0.00 -0.259 N ATOM 7 C LIG 1 -3.312 0.534 -0.234 0.00 0.00 +0.071 A ATOM 8 C LIG 1 -4.513 1.126 -0.652 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -4.677 2.495 -0.419 0.00 0.00 +0.015 A ENDROOT BRANCH 4 10 ATOM 10 N LIG 1 -0.094 0.577 1.327 0.00 0.00 -0.283 N ATOM 11 C LIG 1 1.188 0.069 0.977 0.00 0.00 +0.039 A ATOM 12 C LIG 1 2.260 0.060 1.889 0.00 0.00 -0.025 A ATOM 13 C LIG 1 3.524 -0.421 1.499 0.00 0.00 +0.014 A ATOM 14 C LIG 1 3.748 -0.924 0.210 0.00 0.00 -0.006 A ATOM 15 C LIG 1 2.696 -0.927 -0.716 0.00 0.00 +0.027 A ATOM 16 C LIG 1 2.094 0.571 3.295 0.00 0.00 +0.038 C ATOM 17 C LIG 1 0.629 0.606 3.689 0.00 0.00 +0.024 C ATOM 18 C LIG 1 1.437 -0.434 -0.315 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -0.163 1.311 2.599 0.00 0.00 +0.113 C BRANCH 14 20 ATOM 20 C LIG 1 5.066 -1.424 -0.119 0.00 0.00 +0.020 A ATOM 21 C LIG 1 6.217 -0.666 -0.080 0.00 0.00 +0.116 A ATOM 22 N LIG 1 7.231 -1.499 -0.458 0.00 0.00 -0.274 N ATOM 23 C LIG 1 8.630 -1.169 -0.573 0.00 0.00 +0.172 C ATOM 24 N LIG 1 6.819 -2.747 -0.746 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 5.502 -2.704 -0.527 0.00 0.00 +0.142 A ENDBRANCH 14 20 BRANCH 15 26 ATOM 26 C LIG 1 2.863 -1.447 -2.121 0.00 0.00 +0.372 C ATOM 27 F LIG 1 2.893 -2.808 -2.173 0.00 0.00 -0.204 F ATOM 28 F LIG 1 1.852 -1.076 -2.962 0.00 0.00 -0.204 F ENDBRANCH 15 26 ENDBRANCH 4 10 BRANCH 6 29 ATOM 29 C LIG 1 -3.477 -1.893 -0.957 0.00 0.00 +0.112 C ATOM 30 C LIG 1 -2.841 -2.213 -2.318 0.00 0.00 +0.055 C ATOM 31 C LIG 1 -3.009 -3.683 -2.679 0.00 0.00 +0.162 C ATOM 32 O LIG 1 -4.247 -4.162 -2.162 0.00 0.00 -0.380 OA ATOM 33 C LIG 1 -4.236 -4.274 -0.737 0.00 0.00 +0.162 C ATOM 34 C LIG 1 -3.493 -3.130 -0.055 0.00 0.00 +0.055 C ENDBRANCH 6 29 BRANCH 1 38 ATOM 35 C LIG 1 -2.915 6.946 0.400 0.00 0.00 +0.128 C ATOM 36 N LIG 1 -2.782 5.511 0.351 0.00 0.00 -0.314 N ATOM 37 H LIG 1 -1.935 5.133 -0.051 0.00 0.00 +0.149 HD ATOM 38 C LIG 1 -3.904 4.707 0.389 0.00 0.00 +0.244 C ATOM 39 O LIG 1 -5.042 5.134 0.540 0.00 0.00 -0.270 OA ENDBRANCH 1 38 TORSDOF 5