REMARK Name = BDB028083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.353 -0.371 -0.757 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -3.459 0.954 -1.253 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -2.333 1.679 -1.686 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.100 1.040 -1.613 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.260 1.537 -1.990 0.00 0.00 +0.151 C ATOM 6 N LIG 1 1.122 0.416 -1.653 0.00 0.00 -0.248 N ATOM 7 C LIG 1 0.409 -0.670 -1.166 0.00 0.00 +0.253 C ATOM 8 O LIG 1 0.776 -1.777 -0.822 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.002 -0.263 -1.130 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.098 -0.989 -0.702 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.507 0.509 -1.872 0.00 0.00 +0.128 A ATOM 12 N LIG 1 2.952 1.654 -2.438 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 4.270 1.765 -2.687 0.00 0.00 +0.113 A ATOM 14 C LIG 1 5.196 0.787 -2.372 0.00 0.00 +0.024 A ATOM 15 C LIG 1 4.775 -0.404 -1.760 0.00 0.00 -0.032 A ATOM 16 C LIG 1 3.388 -0.513 -1.521 0.00 0.00 +0.048 A BRANCH 15 17 ATOM 17 C LIG 1 5.811 -1.557 -1.341 0.00 0.00 +0.049 C ATOM 18 C LIG 1 5.394 -3.045 -1.519 0.00 0.00 +0.174 C ATOM 19 O LIG 1 6.645 -3.349 -2.192 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 6.880 -1.938 -2.403 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 6.467 -1.246 0.019 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 5.494 -1.241 1.149 0.00 0.00 +0.134 A ATOM 23 N LIG 1 5.034 -0.133 1.814 0.00 0.00 -0.320 N ATOM 24 C LIG 1 5.391 1.242 1.599 0.00 0.00 +0.151 C ATOM 25 C LIG 1 4.159 -0.588 2.751 0.00 0.00 +0.224 A ATOM 26 N LIG 1 4.090 -1.896 2.686 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 4.931 -2.307 1.682 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 15 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 -2.449 3.089 -2.197 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -3.725 3.554 -2.255 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -1.760 3.974 -1.424 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.942 3.224 -3.454 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 -4.594 -1.116 -0.304 0.00 0.00 +0.119 C BRANCH 32 36 ATOM 33 C LIG 1 -5.400 1.968 2.722 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -5.418 0.474 3.060 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -4.658 -0.353 2.008 0.00 0.00 +0.088 C ATOM 36 N LIG 1 -5.364 -0.379 0.713 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 -6.697 -0.982 0.871 0.00 0.00 +0.085 C ATOM 38 C LIG 1 -7.551 -0.197 1.868 0.00 0.00 +0.016 C ATOM 39 C LIG 1 -6.850 -0.054 3.216 0.00 0.00 +0.006 C ENDBRANCH 32 36 ENDBRANCH 1 32 TORSDOF 7