REMARK Name = BDB008810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.395 -0.835 -1.197 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -1.025 -1.044 -1.304 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.517 -1.760 -2.373 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.842 -1.846 -2.316 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 1.197 -1.250 -1.194 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -1.266 -2.301 -3.344 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.575 -2.094 -3.156 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.086 -0.722 -0.554 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -3.160 -1.401 -2.149 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.577 -1.142 -0.727 0.00 0.00 +0.018 A ATOM 11 C LIG 1 3.015 -1.846 0.399 0.00 0.00 +0.012 A ATOM 12 C LIG 1 4.340 -1.728 0.834 0.00 0.00 +0.009 A ATOM 13 C LIG 1 5.259 -0.917 0.149 0.00 0.00 -0.018 A ATOM 14 C LIG 1 4.812 -0.236 -0.995 0.00 0.00 +0.009 A ATOM 15 C LIG 1 3.488 -0.351 -1.432 0.00 0.00 +0.012 A BRANCH 13 16 ATOM 16 C LIG 1 6.653 -0.798 0.607 0.00 0.00 -0.018 A ATOM 17 C LIG 1 6.952 -0.412 1.924 0.00 0.00 +0.008 A ATOM 18 C LIG 1 8.275 -0.297 2.359 0.00 0.00 +0.001 A ATOM 19 C LIG 1 9.323 -0.569 1.483 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.049 -0.954 0.173 0.00 0.00 +0.001 A ATOM 21 C LIG 1 7.725 -1.067 -0.261 0.00 0.00 +0.008 A ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -2.959 -0.074 -0.173 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.482 0.824 -0.149 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -4.758 1.366 0.592 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -4.423 0.087 -0.185 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -5.101 -1.154 0.412 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -6.620 -1.147 0.753 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -6.288 -2.136 1.892 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -4.864 -1.540 1.901 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 -3.489 -2.693 -4.194 0.00 0.00 +0.375 C ATOM 31 O LIG 1 -3.164 -3.345 -5.172 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 -4.801 -2.448 -3.962 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 -5.254 -2.896 -4.705 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 0.088 -0.018 0.723 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 C LIG 1 -0.124 1.475 0.598 0.00 0.00 -0.028 A ATOM 36 C LIG 1 0.462 2.237 -0.422 0.00 0.00 +0.006 A ATOM 37 C LIG 1 0.257 3.618 -0.488 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.518 4.274 0.478 0.00 0.00 +0.055 A ATOM 39 C LIG 1 -1.093 3.517 1.507 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -0.887 2.137 1.573 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -0.759 5.762 0.395 0.00 0.00 +0.417 C ATOM 42 F LIG 1 0.233 6.432 -0.255 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -0.866 6.352 1.618 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.910 6.061 -0.267 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 10