REMARK Name = BDB010138 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.209 -0.433 0.918 0.00 0.00 +0.199 A ATOM 2 N LIG 1 -1.001 -0.299 0.255 0.00 0.00 -0.303 N ATOM 3 C LIG 1 -0.072 -1.095 0.895 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.814 -1.744 1.867 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.321 -2.674 2.699 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 0.972 -2.912 2.474 0.00 0.00 +0.242 A ATOM 7 N LIG 1 1.792 -2.317 1.564 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.288 -1.359 0.758 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -2.105 -1.317 1.881 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -3.299 0.298 0.587 0.00 0.00 -0.308 N ATOM 11 H LIG 1 -3.317 0.822 -0.279 0.00 0.00 +0.149 HD BRANCH 10 13 ATOM 12 C LIG 1 -4.842 -0.345 2.476 0.00 0.00 +0.033 C ATOM 13 C LIG 1 -4.657 -0.102 0.978 0.00 0.00 +0.100 C BRANCH 13 14 ATOM 14 C LIG 1 -5.162 -1.211 0.069 0.00 0.00 -0.027 A ATOM 15 C LIG 1 -4.841 -2.558 0.296 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -5.299 -3.558 -0.565 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.080 -3.226 -1.669 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.400 -1.894 -1.916 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -5.942 -0.893 -1.057 0.00 0.00 +0.005 A ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 6 20 ATOM 20 C LIG 1 1.652 -3.961 3.315 0.00 0.00 +0.375 C ATOM 21 O LIG 1 1.147 -4.619 4.207 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 2.959 -4.091 2.943 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 3.144 -3.469 2.201 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 2.109 -0.697 -0.145 0.00 0.00 -0.324 N ATOM 25 H LIG 1 1.816 0.261 -0.303 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 3.565 -0.819 0.005 0.00 0.00 +0.072 C ATOM 27 C LIG 1 4.046 0.113 1.119 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 4.218 -0.514 -1.351 0.00 0.00 +0.009 C ATOM 29 C LIG 1 4.237 0.926 -1.938 0.00 0.00 +0.005 C ATOM 30 C LIG 1 5.584 0.559 -2.596 0.00 0.00 +0.001 C ATOM 31 C LIG 1 5.769 -0.487 -1.476 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 -0.782 0.441 -0.979 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 C LIG 1 -0.162 1.806 -0.775 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -0.410 2.596 0.357 0.00 0.00 +0.006 A ATOM 35 C LIG 1 0.179 3.857 0.491 0.00 0.00 +0.013 A ATOM 36 C LIG 1 1.022 4.363 -0.506 0.00 0.00 +0.055 A ATOM 37 C LIG 1 1.244 3.591 -1.654 0.00 0.00 +0.013 A ATOM 38 C LIG 1 0.655 2.331 -1.788 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 1.642 5.733 -0.372 0.00 0.00 +0.417 C ATOM 40 F LIG 1 1.821 6.116 0.923 0.00 0.00 -0.166 F ATOM 41 F LIG 1 2.869 5.818 -0.957 0.00 0.00 -0.166 F ATOM 42 F LIG 1 0.882 6.703 -0.950 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 11