REMARK Name = BDB060706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.526 -1.983 0.416 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.809 -1.497 0.727 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -2.868 -2.364 1.041 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -2.643 -3.739 1.033 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -1.386 -4.239 0.691 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.343 -3.367 0.373 0.00 0.00 +0.023 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -4.106 -1.780 1.377 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -4.163 -0.774 1.316 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 -5.316 -2.405 1.512 0.00 0.00 +0.308 C ATOM 10 N LIG 1 -6.347 -1.626 1.971 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -7.243 -2.063 1.785 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 -5.569 -3.563 1.188 0.00 0.00 -0.252 OA BRANCH 10 13 ATOM 13 C LIG 1 -6.365 -0.442 2.730 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -7.577 0.252 2.799 0.00 0.00 +0.061 A ATOM 15 C LIG 1 -7.666 1.424 3.544 0.00 0.00 +0.125 A ATOM 16 F LIG 1 -8.828 2.089 3.587 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -6.573 1.915 4.245 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -5.371 1.214 4.209 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -5.270 0.035 3.461 0.00 0.00 +0.023 A ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 20 ATOM 20 N LIG 1 0.483 -1.068 0.035 0.00 0.00 -0.299 N ATOM 21 H LIG 1 0.246 -0.117 0.297 0.00 0.00 +0.154 HD BRANCH 20 26 ATOM 22 C LIG 1 4.545 1.375 -1.898 0.00 0.00 -0.013 A ATOM 23 C LIG 1 4.983 0.347 -1.050 0.00 0.00 +0.037 A ATOM 24 C LIG 1 4.101 -0.505 -0.394 0.00 0.00 +0.077 A ATOM 25 C LIG 1 2.723 -0.326 -0.575 0.00 0.00 +0.040 A ATOM 26 C LIG 1 1.894 -1.223 0.130 0.00 0.00 +0.134 A ATOM 27 N LIG 1 2.399 -2.200 0.904 0.00 0.00 -0.220 NA ATOM 28 C LIG 1 3.730 -2.272 0.991 0.00 0.00 +0.223 A ATOM 29 C LIG 1 2.269 0.703 -1.436 0.00 0.00 +0.014 A ATOM 30 N LIG 1 4.606 -1.465 0.385 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 3.173 1.544 -2.087 0.00 0.00 +0.009 A BRANCH 22 36 ATOM 32 C LIG 1 6.759 4.366 -5.189 0.00 0.00 +0.172 C ATOM 33 N LIG 1 6.471 3.559 -4.028 0.00 0.00 -0.274 N ATOM 34 N LIG 1 7.398 3.436 -3.063 0.00 0.00 -0.179 NA ATOM 35 C LIG 1 6.815 2.629 -2.172 0.00 0.00 +0.142 A ATOM 36 C LIG 1 5.510 2.240 -2.556 0.00 0.00 +0.020 A ATOM 37 C LIG 1 5.324 2.865 -3.772 0.00 0.00 +0.116 A ENDBRANCH 22 36 ENDBRANCH 20 26 ENDBRANCH 1 20 TORSDOF 5