REMARK Name = BDB010810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.868 0.372 -0.313 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.695 1.133 -0.244 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.727 2.365 0.388 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.459 3.014 0.292 0.00 0.00 -0.209 NA ATOM 5 C LIG 1 1.262 2.232 -0.413 0.00 0.00 +0.150 A ATOM 6 N LIG 1 -1.803 2.898 0.983 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.877 2.111 0.866 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.610 1.030 -0.702 0.00 0.00 -0.321 N ATOM 9 N LIG 1 -2.962 0.918 0.253 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.113 2.633 1.491 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.077 3.820 2.121 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.277 4.421 2.238 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.306 4.043 2.602 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.657 5.017 3.251 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.110 2.987 2.247 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.281 2.074 1.518 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -1.954 -0.857 -0.942 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -1.143 -1.435 -0.770 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -4.261 -0.938 -1.845 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -3.199 -1.637 -0.993 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -3.761 -2.029 0.383 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -2.835 -2.848 1.327 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -3.494 -4.128 0.785 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -4.708 -3.264 0.396 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 2.630 2.688 -0.921 0.00 0.00 +0.162 C ATOM 26 C LIG 1 2.471 3.433 -2.252 0.00 0.00 +0.056 C BRANCH 25 27 ATOM 27 C LIG 1 3.401 3.545 0.098 0.00 0.00 +0.080 A ATOM 28 N LIG 1 4.593 3.029 0.530 0.00 0.00 -0.257 NA ATOM 29 C LIG 1 5.310 3.765 1.410 0.00 0.00 +0.111 A ATOM 30 C LIG 1 4.912 5.003 1.883 0.00 0.00 +0.020 A ATOM 31 C LIG 1 3.705 5.521 1.432 0.00 0.00 +0.003 A ATOM 32 C LIG 1 2.938 4.790 0.528 0.00 0.00 +0.027 A ENDBRANCH 25 27 BRANCH 25 33 ATOM 33 O LIG 1 3.432 1.529 -1.200 0.00 0.00 -0.375 OA ATOM 34 H LIG 1 4.229 1.645 -0.638 0.00 0.00 +0.211 HD ENDBRANCH 25 33 ENDBRANCH 5 25 BRANCH 8 35 ATOM 35 C LIG 1 1.158 -0.080 -1.469 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 2.057 -1.048 -0.661 0.00 0.00 +0.009 C ATOM 37 C LIG 1 2.883 -1.901 -1.647 0.00 0.00 +0.005 C ATOM 38 C LIG 1 3.378 -3.190 -1.003 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.205 -4.100 -0.599 0.00 0.00 -0.014 C ATOM 40 C LIG 1 2.640 -5.056 0.514 0.00 0.00 +0.007 C ATOM 41 C LIG 1 0.951 -3.300 -0.199 0.00 0.00 +0.003 C ATOM 42 C LIG 1 1.299 -1.922 0.359 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 9