REMARK Name = BDB010432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.818 -0.952 0.337 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.715 -0.190 0.709 0.00 0.00 -0.314 N ATOM 3 C LIG 1 -0.374 -1.036 0.815 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.156 -2.291 0.591 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.544 -3.431 0.660 0.00 0.00 -0.209 NA ATOM 6 C LIG 1 -1.823 -3.242 0.997 0.00 0.00 +0.159 A ATOM 7 N LIG 1 -2.430 -2.047 1.218 0.00 0.00 -0.213 NA ATOM 8 C LIG 1 -1.731 -0.898 1.105 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.483 -2.233 0.294 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.533 -0.853 -0.293 0.00 0.00 -0.041 A ATOM 11 C LIG 1 4.257 -1.335 0.024 0.00 0.00 +0.035 A ATOM 12 C LIG 1 3.173 -0.459 0.040 0.00 0.00 +0.107 A ATOM 13 N LIG 1 3.294 0.855 -0.255 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 4.530 1.305 -0.562 0.00 0.00 +0.112 A ATOM 15 C LIG 1 5.661 0.505 -0.592 0.00 0.00 +0.023 A BRANCH 10 17 ATOM 16 C LIG 1 7.779 -1.393 0.715 0.00 0.00 +0.012 C ATOM 17 C LIG 1 6.718 -1.799 -0.312 0.00 0.00 +0.013 C ATOM 18 C LIG 1 7.328 -1.905 -1.712 0.00 0.00 +0.012 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 8 19 ATOM 19 N LIG 1 -2.337 0.337 1.272 0.00 0.00 -0.324 N ATOM 20 H LIG 1 -1.915 1.021 0.652 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 C LIG 1 -3.795 0.508 1.313 0.00 0.00 +0.072 C ATOM 22 C LIG 1 -4.411 -0.096 2.571 0.00 0.00 +0.028 C BRANCH 21 23 ATOM 23 C LIG 1 -4.486 0.119 0.002 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -5.950 0.611 -0.199 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -6.170 -0.634 -1.080 0.00 0.00 +0.001 C ATOM 26 C LIG 1 -5.039 -1.310 -0.278 0.00 0.00 +0.005 C ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 8 19 BRANCH 2 27 ATOM 27 C LIG 1 0.733 1.211 1.121 0.00 0.00 +0.159 C BRANCH 27 28 ATOM 28 C LIG 1 0.183 2.173 0.089 0.00 0.00 -0.028 A ATOM 29 C LIG 1 0.341 1.984 -1.291 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -0.179 2.906 -2.204 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -0.853 4.051 -1.760 0.00 0.00 +0.055 A ATOM 32 C LIG 1 -1.002 4.252 -0.381 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -0.481 3.330 0.531 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -1.433 5.035 -2.745 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -0.771 5.060 -3.936 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -1.421 6.318 -2.287 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -2.732 4.758 -3.045 0.00 0.00 -0.166 F ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 2 27 BRANCH 6 38 ATOM 38 C LIG 1 -2.691 -4.479 1.129 0.00 0.00 +0.232 C BRANCH 38 39 ATOM 39 O LIG 1 -3.961 -4.200 1.728 0.00 0.00 -0.387 OA ATOM 40 H LIG 1 -3.973 -3.229 1.847 0.00 0.00 +0.210 HD ENDBRANCH 38 39 ENDBRANCH 6 38 TORSDOF 10