REMARK Name = BDB061435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.883 -1.399 -2.522 0.00 0.00 +0.111 A ATOM 2 C LIG 1 -0.263 -1.767 -3.698 0.00 0.00 +0.167 A ATOM 3 F LIG 1 -0.915 -2.308 -4.735 0.00 0.00 -0.202 F ATOM 4 C LIG 1 1.085 -1.532 -3.775 0.00 0.00 +0.155 A ATOM 5 N LIG 1 1.804 -0.976 -2.779 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 1.143 -0.636 -1.662 0.00 0.00 +0.221 A ATOM 7 N LIG 1 -0.179 -0.830 -1.508 0.00 0.00 -0.211 NA ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -6.301 -0.021 -0.084 0.00 0.00 +0.140 A ATOM 9 N LIG 1 -4.981 0.108 -0.353 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -4.380 -0.797 -1.151 0.00 0.00 +0.092 A ATOM 11 C LIG 1 -5.099 -1.870 -1.714 0.00 0.00 +0.089 A ATOM 12 C LIG 1 -4.432 -2.773 -2.528 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -3.067 -2.636 -2.801 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -2.328 -1.576 -2.261 0.00 0.00 +0.005 A ATOM 15 N LIG 1 -6.408 -2.029 -1.473 0.00 0.00 -0.250 NA ATOM 16 C LIG 1 -3.023 -0.675 -1.431 0.00 0.00 +0.040 A ATOM 17 C LIG 1 -6.977 -1.097 -0.662 0.00 0.00 +0.155 A BRANCH 8 18 ATOM 18 N LIG 1 -6.903 0.917 0.740 0.00 0.00 -0.314 N BRANCH 18 20 ATOM 19 C LIG 1 -5.296 1.552 2.511 0.00 0.00 +0.024 C ATOM 20 C LIG 1 -6.072 1.997 1.279 0.00 0.00 +0.103 C ENDBRANCH 18 20 BRANCH 18 21 ATOM 21 C LIG 1 -8.317 0.877 1.100 0.00 0.00 +0.103 C ATOM 22 C LIG 1 -8.581 -0.088 2.246 0.00 0.00 +0.024 C ENDBRANCH 18 21 ENDBRANCH 8 18 ENDBRANCH 1 14 BRANCH 6 23 ATOM 23 N LIG 1 1.786 -0.059 -0.584 0.00 0.00 -0.268 N ATOM 24 H LIG 1 1.159 0.131 0.183 0.00 0.00 +0.156 HD BRANCH 23 25 ATOM 25 C LIG 1 3.087 0.310 -0.306 0.00 0.00 +0.125 A ATOM 26 N LIG 1 3.277 0.846 0.915 0.00 0.00 -0.238 NA ATOM 27 C LIG 1 4.536 1.230 1.256 0.00 0.00 +0.136 A ATOM 28 C LIG 1 5.682 1.105 0.464 0.00 0.00 +0.048 A ATOM 29 C LIG 1 5.438 0.569 -0.798 0.00 0.00 +0.028 A ATOM 30 C LIG 1 4.151 0.166 -1.183 0.00 0.00 +0.045 A BRANCH 28 31 ATOM 31 N LIG 1 6.933 1.533 0.908 0.00 0.00 -0.326 N ATOM 32 C LIG 1 7.359 1.049 2.243 0.00 0.00 +0.120 C ATOM 33 C LIG 1 8.173 -0.263 2.120 0.00 0.00 +0.100 C ATOM 34 N LIG 1 9.342 -0.147 1.220 0.00 0.00 -0.313 NA ATOM 35 H LIG 1 9.969 0.558 1.609 0.00 0.00 +0.122 HD ATOM 36 C LIG 1 8.881 0.329 -0.102 0.00 0.00 +0.100 C ATOM 37 C LIG 1 8.067 1.643 -0.034 0.00 0.00 +0.120 C ENDBRANCH 28 31 ENDBRANCH 23 25 ENDBRANCH 6 23 TORSDOF 7