REMARK Name = BDB030878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.114 -0.971 0.494 0.00 0.00 +0.090 A ATOM 2 C LIG 1 0.679 -2.197 0.754 0.00 0.00 +0.099 A ATOM 3 C LIG 1 2.005 -2.294 0.406 0.00 0.00 +0.129 A ATOM 4 N LIG 1 2.712 -1.295 -0.157 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 2.071 -0.150 -0.397 0.00 0.00 +0.216 A ATOM 6 N LIG 1 0.790 0.048 -0.085 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.747 0.595 -1.270 0.00 0.00 +0.080 A ATOM 8 C LIG 1 -4.666 0.435 0.127 0.00 0.00 +0.165 A ATOM 9 C LIG 1 -3.449 -0.009 0.670 0.00 0.00 +0.091 A ATOM 10 C LIG 1 -2.303 -0.215 -0.094 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -1.272 -0.653 0.795 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -1.806 -0.666 2.068 0.00 0.00 +0.093 A ATOM 13 C LIG 1 -2.371 0.036 -1.477 0.00 0.00 +0.013 A ATOM 14 N LIG 1 -3.121 -0.289 1.977 0.00 0.00 -0.357 N ATOM 15 H LIG 1 -3.776 -0.221 2.745 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 -3.589 0.439 -2.045 0.00 0.00 +0.028 A BRANCH 7 18 ATOM 17 C LIG 1 -7.232 0.758 -1.704 0.00 0.00 +0.404 C ATOM 18 N LIG 1 -5.907 0.961 -1.984 0.00 0.00 -0.248 N ATOM 19 H LIG 1 -5.783 1.335 -2.914 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 -8.098 1.270 -2.409 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 -8.873 -0.297 -0.413 0.00 0.00 +0.282 C ATOM 22 O LIG 1 -7.488 -0.089 -0.679 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 O LIG 1 -5.684 0.737 0.994 0.00 0.00 -0.491 OA ATOM 24 C LIG 1 -5.768 2.151 1.182 0.00 0.00 +0.277 C ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 25 ATOM 25 C LIG 1 -0.041 -3.347 1.353 0.00 0.00 +0.421 C ATOM 26 F LIG 1 0.668 -4.512 1.268 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -0.293 -3.185 2.682 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -1.237 -3.619 0.766 0.00 0.00 -0.166 F ENDBRANCH 2 25 BRANCH 5 29 ATOM 29 N LIG 1 2.706 0.921 -0.985 0.00 0.00 -0.309 N ATOM 30 H LIG 1 2.124 1.732 -0.799 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 4.141 1.134 -0.806 0.00 0.00 +0.087 C ATOM 32 C LIG 1 5.011 0.171 -1.646 0.00 0.00 +0.103 C ATOM 33 N LIG 1 6.445 0.408 -1.408 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 6.678 1.351 -1.721 0.00 0.00 +0.123 HD ATOM 35 C LIG 1 6.801 0.242 0.022 0.00 0.00 +0.019 C ATOM 36 C LIG 1 8.007 -0.618 0.316 0.00 0.00 +0.024 C ATOM 37 C LIG 1 8.100 0.868 0.481 0.00 0.00 +0.024 C ATOM 38 C LIG 1 5.650 0.179 1.013 0.00 0.00 +0.024 C ATOM 39 C LIG 1 4.572 1.208 0.672 0.00 0.00 +0.025 C ENDBRANCH 29 31 ENDBRANCH 5 29 TORSDOF 7