REMARK Name = BDB030988 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.304 0.269 -0.291 0.00 0.00 +0.050 A ATOM 2 C LIG 1 3.043 1.582 0.182 0.00 0.00 +0.063 A ATOM 3 C LIG 1 1.824 1.771 0.881 0.00 0.00 +0.058 A ATOM 4 C LIG 1 0.883 0.763 1.086 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -0.202 1.326 1.828 0.00 0.00 +0.026 A ATOM 6 C LIG 1 0.081 2.663 2.014 0.00 0.00 +0.093 A ATOM 7 C LIG 1 1.146 -0.513 0.563 0.00 0.00 +0.012 A ATOM 8 N LIG 1 1.301 2.917 1.448 0.00 0.00 -0.360 N ATOM 9 H LIG 1 1.755 3.823 1.414 0.00 0.00 +0.165 HD ATOM 10 C LIG 1 2.346 -0.743 -0.117 0.00 0.00 +0.025 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -1.437 0.693 2.259 0.00 0.00 +0.090 A ATOM 12 C LIG 1 -1.832 0.625 3.574 0.00 0.00 +0.099 A ATOM 13 C LIG 1 -3.032 -0.018 3.772 0.00 0.00 +0.129 A ATOM 14 N LIG 1 -3.774 -0.557 2.784 0.00 0.00 -0.222 NA ATOM 15 C LIG 1 -3.305 -0.443 1.539 0.00 0.00 +0.216 A ATOM 16 N LIG 1 -2.150 0.155 1.244 0.00 0.00 -0.214 NA BRANCH 12 17 ATOM 17 C LIG 1 -1.062 1.178 4.714 0.00 0.00 +0.421 C ATOM 18 F LIG 1 -1.537 0.755 5.923 0.00 0.00 -0.166 F ATOM 19 F LIG 1 0.254 0.830 4.713 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -1.101 2.538 4.777 0.00 0.00 -0.166 F ENDBRANCH 12 17 BRANCH 15 21 ATOM 21 N LIG 1 -4.093 -1.000 0.547 0.00 0.00 -0.309 N ATOM 22 H LIG 1 -4.699 -1.664 1.016 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.394 -1.483 -0.651 0.00 0.00 +0.087 C ATOM 24 C LIG 1 -3.212 -0.342 -1.681 0.00 0.00 +0.103 C ATOM 25 N LIG 1 -4.475 0.271 -2.139 0.00 0.00 -0.314 NA ATOM 26 H LIG 1 -4.728 0.983 -1.451 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -5.588 -0.683 -2.209 0.00 0.00 +0.081 C ATOM 28 C LIG 1 -5.140 -2.125 -2.420 0.00 0.00 +0.017 C ATOM 29 C LIG 1 -4.217 -2.615 -1.300 0.00 0.00 +0.025 C ENDBRANCH 21 23 ENDBRANCH 15 21 ENDBRANCH 5 11 BRANCH 1 31 ATOM 30 C LIG 1 4.562 -0.864 -2.087 0.00 0.00 +0.407 C ATOM 31 N LIG 1 4.538 -0.074 -0.933 0.00 0.00 -0.240 N ATOM 32 C LIG 1 5.784 0.252 -0.246 0.00 0.00 +0.142 C ATOM 33 O LIG 1 3.576 -1.250 -2.705 0.00 0.00 -0.226 OA BRANCH 30 35 ATOM 34 C LIG 1 5.918 -1.920 -3.687 0.00 0.00 +0.282 C ATOM 35 O LIG 1 5.837 -1.136 -2.495 0.00 0.00 -0.453 OA ENDBRANCH 30 35 ENDBRANCH 1 31 BRANCH 2 36 ATOM 36 C LIG 1 3.960 2.742 -0.099 0.00 0.00 +0.375 C ATOM 37 F LIG 1 3.341 3.956 0.033 0.00 0.00 -0.204 F ATOM 38 F LIG 1 5.019 2.799 0.755 0.00 0.00 -0.204 F ENDBRANCH 2 36 TORSDOF 7