REMARK Name = BDB009074 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.231 -1.327 -1.212 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.876 -1.253 -0.896 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.126 -2.412 -0.804 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.171 -2.147 -0.483 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 1.261 -0.836 -0.365 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -0.608 -3.645 -1.013 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.907 -3.640 -1.335 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.035 -0.247 -0.638 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -2.717 -2.561 -1.445 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.510 -0.133 -0.060 0.00 0.00 +0.019 A ATOM 11 C LIG 1 3.660 -0.434 -0.809 0.00 0.00 +0.034 A ATOM 12 C LIG 1 4.883 0.209 -0.570 0.00 0.00 +0.032 A ATOM 13 C LIG 1 4.937 1.162 0.453 0.00 0.00 +0.023 A ATOM 14 C LIG 1 3.810 1.455 1.224 0.00 0.00 +0.002 A ATOM 15 C LIG 1 2.603 0.803 0.975 0.00 0.00 +0.011 A BRANCH 12 16 ATOM 16 N LIG 1 6.005 -0.142 -1.341 0.00 0.00 -0.314 N ATOM 17 H LIG 1 5.782 -0.634 -2.199 0.00 0.00 +0.152 HD BRANCH 16 18 ATOM 18 C LIG 1 7.381 -0.160 -1.043 0.00 0.00 +0.031 A ATOM 19 C LIG 1 8.298 -0.097 -2.103 0.00 0.00 +0.023 A ATOM 20 C LIG 1 9.675 -0.071 -1.866 0.00 0.00 +0.002 A ATOM 21 C LIG 1 10.157 -0.102 -0.561 0.00 0.00 +0.000 A ATOM 22 C LIG 1 9.262 -0.158 0.504 0.00 0.00 +0.002 A ATOM 23 C LIG 1 7.884 -0.182 0.262 0.00 0.00 +0.023 A ENDBRANCH 16 18 ENDBRANCH 12 16 ENDBRANCH 5 10 BRANCH 1 24 ATOM 24 N LIG 1 -3.062 -0.219 -1.310 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.764 0.566 -0.747 0.00 0.00 +0.148 HD BRANCH 24 27 ATOM 26 C LIG 1 -5.168 0.704 -2.041 0.00 0.00 +0.028 C ATOM 27 C LIG 1 -4.512 -0.429 -1.246 0.00 0.00 +0.072 C BRANCH 27 28 ATOM 28 C LIG 1 -5.001 -0.371 0.204 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -6.495 -0.721 0.464 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -6.039 -1.341 1.800 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -4.667 -1.571 1.136 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 7 32 ATOM 32 C LIG 1 -2.525 -4.990 -1.590 0.00 0.00 +0.375 C ATOM 33 O LIG 1 -1.962 -6.072 -1.568 0.00 0.00 -0.242 OA BRANCH 32 34 ATOM 34 O LIG 1 -3.850 -4.932 -1.864 0.00 0.00 -0.475 OA ATOM 35 H LIG 1 -4.097 -5.869 -2.007 0.00 0.00 +0.296 HD ENDBRANCH 32 34 ENDBRANCH 7 32 BRANCH 8 36 ATOM 36 C LIG 1 -0.207 1.182 -0.786 0.00 0.00 +0.159 C BRANCH 36 37 ATOM 37 C LIG 1 -0.986 1.813 0.352 0.00 0.00 -0.028 A ATOM 38 C LIG 1 -1.189 1.198 1.596 0.00 0.00 +0.006 A ATOM 39 C LIG 1 -1.938 1.830 2.593 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -2.499 3.095 2.374 0.00 0.00 +0.055 A ATOM 41 C LIG 1 -2.278 3.724 1.142 0.00 0.00 +0.013 A ATOM 42 C LIG 1 -1.531 3.091 0.145 0.00 0.00 +0.006 A BRANCH 40 43 ATOM 43 C LIG 1 -3.291 3.783 3.460 0.00 0.00 +0.417 C ATOM 44 F LIG 1 -3.966 2.911 4.260 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -4.229 4.641 2.972 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.501 4.519 4.288 0.00 0.00 -0.166 F ENDBRANCH 40 43 ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 11