REMARK Name = BDB036390 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.906 4.390 1.819 0.00 0.00 +0.132 C ATOM 2 N LIG 1 2.559 3.148 1.146 0.00 0.00 -0.301 N ATOM 3 C LIG 1 3.257 1.992 1.505 0.00 0.00 +0.247 C ATOM 4 O LIG 1 4.196 1.950 2.297 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 2.828 0.717 0.901 0.00 0.00 +0.049 A ATOM 6 C LIG 1 1.957 -0.055 1.678 0.00 0.00 +0.014 A ATOM 7 C LIG 1 1.322 -1.156 1.121 0.00 0.00 +0.011 A ATOM 8 C LIG 1 1.569 -1.482 -0.232 0.00 0.00 +0.010 A ATOM 9 C LIG 1 2.502 -0.734 -0.965 0.00 0.00 +0.058 A ATOM 10 N LIG 1 2.488 -1.263 -2.249 0.00 0.00 -0.359 N ATOM 11 H LIG 1 2.973 -0.876 -3.047 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 1.593 -2.295 -2.350 0.00 0.00 +0.093 A ATOM 13 C LIG 1 0.992 -2.447 -1.116 0.00 0.00 +0.026 A ATOM 14 C LIG 1 -0.179 -3.274 -0.909 0.00 0.00 +0.090 A ATOM 15 N LIG 1 -1.318 -2.551 -0.805 0.00 0.00 -0.214 NA ATOM 16 C LIG 1 -2.469 -3.208 -0.699 0.00 0.00 +0.216 A ATOM 17 N LIG 1 -2.547 -4.539 -0.661 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 -1.384 -5.228 -0.736 0.00 0.00 +0.129 A ATOM 19 N LIG 1 -3.670 -2.530 -0.762 0.00 0.00 -0.309 N ATOM 20 H LIG 1 -4.364 -3.273 -0.713 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 -3.952 -1.466 0.222 0.00 0.00 +0.087 C ATOM 22 C LIG 1 -2.862 -0.350 0.290 0.00 0.00 +0.106 C ATOM 23 N LIG 1 -3.228 0.866 1.057 0.00 0.00 -0.301 NA ATOM 24 C LIG 1 -4.132 1.726 0.289 0.00 0.00 +0.084 C ATOM 25 C LIG 1 -5.580 1.471 0.699 0.00 0.00 +0.015 C ATOM 26 C LIG 1 -5.963 0.005 0.901 0.00 0.00 +0.003 C ATOM 27 C LIG 1 -2.063 1.592 1.582 0.00 0.00 +0.084 C ATOM 28 C LIG 1 -1.027 2.094 0.564 0.00 0.00 +0.017 C ATOM 29 C LIG 1 0.090 2.860 1.289 0.00 0.00 +0.020 C ATOM 30 C LIG 1 -5.370 -0.947 -0.132 0.00 0.00 +0.023 C ATOM 31 C LIG 1 -0.145 -4.645 -0.870 0.00 0.00 +0.099 A ATOM 32 C LIG 1 3.202 0.371 -0.419 0.00 0.00 +0.047 A ATOM 33 C LIG 1 1.296 3.139 0.386 0.00 0.00 +0.108 C ENDROOT BRANCH 31 34 ATOM 34 C LIG 1 1.103 -5.447 -0.970 0.00 0.00 +0.421 C ATOM 35 F LIG 1 2.062 -5.067 -0.076 0.00 0.00 -0.166 F ATOM 36 F LIG 1 0.904 -6.779 -0.729 0.00 0.00 -0.166 F ATOM 37 F LIG 1 1.679 -5.392 -2.210 0.00 0.00 -0.166 F ENDBRANCH 31 34 BRANCH 32 38 ATOM 38 P LIG 1 4.348 1.324 -1.362 0.00 0.00 +0.113 P ATOM 39 O LIG 1 3.725 2.435 -2.169 0.00 0.00 -0.317 OA ATOM 40 C LIG 1 5.292 0.258 -2.493 0.00 0.00 +0.086 C ATOM 41 C LIG 1 5.717 1.953 -0.369 0.00 0.00 +0.086 C ENDBRANCH 32 38 TORSDOF 2