REMARK Name = BDB010949 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.968 0.331 0.392 0.00 0.00 -0.178 N ATOM 2 C LIG 1 0.213 0.746 1.019 0.00 0.00 +0.281 A ATOM 3 O LIG 1 0.424 0.861 2.224 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 1.338 1.101 0.122 0.00 0.00 +0.051 A ATOM 5 C LIG 1 1.194 0.999 -1.257 0.00 0.00 +0.019 A ATOM 6 C LIG 1 2.253 1.315 -2.121 0.00 0.00 +0.064 A ATOM 7 C LIG 1 3.467 1.747 -1.558 0.00 0.00 +0.018 A ATOM 8 C LIG 1 3.631 1.860 -0.169 0.00 0.00 -0.032 A ATOM 9 C LIG 1 -0.107 0.547 -1.743 0.00 0.00 +0.142 A ATOM 10 C LIG 1 2.557 1.536 0.665 0.00 0.00 +0.019 A ATOM 11 N LIG 1 -1.106 0.242 -0.981 0.00 0.00 -0.170 NA ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.504 -0.745 1.151 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -3.327 -0.355 0.470 0.00 0.00 +0.053 A ATOM 14 C LIG 1 -2.132 -0.059 1.139 0.00 0.00 +0.158 A ATOM 15 N LIG 1 -2.079 -0.147 2.485 0.00 0.00 -0.236 NA ATOM 16 C LIG 1 -3.182 -0.532 3.150 0.00 0.00 +0.113 A ATOM 17 C LIG 1 -4.388 -0.834 2.541 0.00 0.00 +0.024 A BRANCH 12 18 ATOM 18 C LIG 1 -5.864 -1.031 0.338 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -7.024 -1.843 1.013 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -6.416 -3.127 0.398 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -7.397 -4.185 -0.066 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -5.806 -2.218 -0.698 0.00 0.00 +0.022 C BRANCH 18 25 ATOM 23 C LIG 1 -7.167 1.552 1.736 0.00 0.00 +0.151 C ATOM 24 N LIG 1 -6.911 1.400 0.331 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -6.377 0.318 -0.311 0.00 0.00 +0.144 A ATOM 26 N LIG 1 -6.293 0.589 -1.597 0.00 0.00 -0.134 NA ATOM 27 N LIG 1 -6.787 1.853 -1.802 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -7.149 2.328 -0.633 0.00 0.00 +0.224 A ENDBRANCH 18 25 ENDBRANCH 12 18 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 2.123 1.189 -3.614 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.851 -0.086 -4.001 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.115 1.954 -4.114 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.239 1.558 -4.297 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 4.954 2.322 0.411 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 6.068 1.450 0.017 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.042 0.159 0.709 0.00 0.00 +0.091 C ATOM 36 C LIG 1 7.034 -0.772 0.024 0.00 0.00 -0.016 C ATOM 37 C LIG 1 7.150 -2.187 0.562 0.00 0.00 +0.009 C ATOM 38 C LIG 1 6.497 -1.951 -0.767 0.00 0.00 +0.009 C ATOM 39 C LIG 1 8.285 -0.100 -0.509 0.00 0.00 +0.009 C ATOM 40 C LIG 1 8.557 1.182 0.268 0.00 0.00 +0.016 C ATOM 41 C LIG 1 7.357 2.134 0.201 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6