REMARK Name = BDB036393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.962 -1.027 0.110 0.00 0.00 +0.047 A ATOM 2 C LIG 1 2.665 0.349 0.262 0.00 0.00 +0.058 A ATOM 3 C LIG 1 1.929 1.066 -0.692 0.00 0.00 +0.010 A ATOM 4 C LIG 1 1.610 2.343 -0.137 0.00 0.00 +0.026 A ATOM 5 C LIG 1 0.571 3.252 -0.582 0.00 0.00 +0.090 A ATOM 6 C LIG 1 0.730 4.592 -0.812 0.00 0.00 +0.099 A ATOM 7 C LIG 1 -0.429 5.238 -1.183 0.00 0.00 +0.129 A ATOM 8 N LIG 1 -1.633 4.635 -1.313 0.00 0.00 -0.222 NA ATOM 9 C LIG 1 -1.680 3.323 -1.076 0.00 0.00 +0.216 A ATOM 10 N LIG 1 -2.920 2.699 -1.169 0.00 0.00 -0.309 N ATOM 11 H LIG 1 -3.593 3.457 -1.133 0.00 0.00 +0.149 HD ATOM 12 C LIG 1 -3.118 1.619 -0.178 0.00 0.00 +0.087 C ATOM 13 C LIG 1 -2.696 0.241 -0.785 0.00 0.00 +0.106 C ATOM 14 N LIG 1 -2.366 -0.882 0.124 0.00 0.00 -0.301 NA ATOM 15 C LIG 1 -2.515 -2.173 -0.575 0.00 0.00 +0.084 C ATOM 16 C LIG 1 -1.790 -3.371 0.069 0.00 0.00 +0.017 C ATOM 17 C LIG 1 -0.257 -3.334 -0.011 0.00 0.00 +0.020 C ATOM 18 C LIG 1 0.247 -3.577 -1.433 0.00 0.00 +0.104 C ATOM 19 N LIG 1 1.669 -3.873 -1.519 0.00 0.00 -0.311 N ATOM 20 H LIG 1 1.943 -4.847 -1.565 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 2.749 -3.041 -1.369 0.00 0.00 +0.245 C ATOM 22 O LIG 1 3.898 -3.460 -1.466 0.00 0.00 -0.270 OA ATOM 23 C LIG 1 -3.013 -0.843 1.436 0.00 0.00 +0.084 C ATOM 24 C LIG 1 -4.530 -0.643 1.444 0.00 0.00 +0.015 C ATOM 25 C LIG 1 -4.943 0.824 1.467 0.00 0.00 +0.003 C ATOM 26 C LIG 1 -4.612 1.611 0.205 0.00 0.00 +0.023 C ATOM 27 N LIG 1 -0.612 2.618 -0.724 0.00 0.00 -0.214 NA ATOM 28 C LIG 1 2.249 2.430 1.077 0.00 0.00 +0.093 A ATOM 29 C LIG 1 1.562 0.449 -1.903 0.00 0.00 +0.011 A ATOM 30 C LIG 1 1.903 -0.876 -2.121 0.00 0.00 +0.014 A ATOM 31 N LIG 1 2.929 1.254 1.272 0.00 0.00 -0.359 N ATOM 32 H LIG 1 3.468 1.070 2.102 0.00 0.00 +0.165 HD ATOM 33 C LIG 1 2.531 -1.606 -1.113 0.00 0.00 +0.049 A ENDROOT BRANCH 1 35 ATOM 34 C LIG 1 3.762 -1.254 2.967 0.00 0.00 +0.086 C ATOM 35 P LIG 1 3.714 -2.042 1.344 0.00 0.00 +0.113 P ATOM 36 O LIG 1 3.080 -3.397 1.556 0.00 0.00 -0.317 OA ATOM 37 C LIG 1 5.475 -2.200 1.005 0.00 0.00 +0.086 C ENDBRANCH 1 35 BRANCH 6 38 ATOM 38 C LIG 1 2.018 5.310 -0.674 0.00 0.00 +0.421 C ATOM 39 F LIG 1 3.057 4.703 -1.309 0.00 0.00 -0.166 F ATOM 40 F LIG 1 1.974 6.574 -1.188 0.00 0.00 -0.166 F ATOM 41 F LIG 1 2.401 5.468 0.623 0.00 0.00 -0.166 F ENDBRANCH 6 38 TORSDOF 2