REMARK Name = BDB010977 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.572 0.830 -1.360 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.634 0.920 -0.326 0.00 0.00 +0.019 A ATOM 3 C LIG 1 1.277 0.661 -0.568 0.00 0.00 +0.051 A ATOM 4 C LIG 1 0.859 0.314 -1.846 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -0.568 0.056 -2.015 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -1.448 0.132 -1.069 0.00 0.00 -0.170 NA ATOM 7 N LIG 1 -1.039 0.485 0.206 0.00 0.00 -0.178 N ATOM 8 C LIG 1 1.776 0.216 -2.908 0.00 0.00 +0.064 A ATOM 9 C LIG 1 0.295 0.756 0.538 0.00 0.00 +0.281 A ATOM 10 O LIG 1 0.750 1.065 1.637 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 3.132 0.480 -2.646 0.00 0.00 +0.018 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.093 0.553 1.183 0.00 0.00 +0.158 A ATOM 13 N LIG 1 -1.808 0.859 2.464 0.00 0.00 -0.236 NA ATOM 14 C LIG 1 -2.814 0.911 3.356 0.00 0.00 +0.113 A ATOM 15 C LIG 1 -4.136 0.666 3.036 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -4.490 0.343 1.718 0.00 0.00 -0.029 A ATOM 17 C LIG 1 -3.418 0.293 0.801 0.00 0.00 +0.053 A BRANCH 16 18 ATOM 18 C LIG 1 -6.019 0.033 1.323 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -7.048 1.193 1.594 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -7.042 1.527 0.088 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -6.178 2.701 -0.343 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -6.480 0.115 -0.173 0.00 0.00 +0.022 C BRANCH 18 23 ATOM 23 C LIG 1 -6.457 -1.334 1.998 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -5.978 -2.587 1.729 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -4.973 -2.967 0.775 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -6.635 -3.429 2.573 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -7.465 -2.741 3.321 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -7.347 -1.419 2.965 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 16 18 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 1.343 -0.165 -4.297 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.357 -0.207 -5.203 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.426 0.703 -4.806 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.757 -1.393 -4.335 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 1 33 ATOM 33 C LIG 1 5.042 1.101 -1.098 0.00 0.00 +0.119 C BRANCH 33 37 ATOM 34 C LIG 1 7.913 0.876 0.938 0.00 0.00 +0.009 C ATOM 35 C LIG 1 8.183 -0.060 -0.243 0.00 0.00 +0.000 C ATOM 36 C LIG 1 7.313 0.273 -1.467 0.00 0.00 +0.088 C ATOM 37 N LIG 1 5.888 -0.069 -1.363 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 5.610 -1.186 -0.448 0.00 0.00 +0.085 C ATOM 39 C LIG 1 6.763 -2.184 -0.385 0.00 0.00 +0.016 C ATOM 40 C LIG 1 8.035 -1.537 0.162 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 6