REMARK Name = BDB036392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.872 -0.663 -0.311 0.00 0.00 +0.047 A ATOM 2 C LIG 1 2.438 0.683 -0.243 0.00 0.00 +0.058 A ATOM 3 C LIG 1 1.399 1.179 -1.045 0.00 0.00 +0.010 A ATOM 4 C LIG 1 1.067 2.491 -0.577 0.00 0.00 +0.026 A ATOM 5 C LIG 1 -0.153 3.239 -0.825 0.00 0.00 +0.090 A ATOM 6 C LIG 1 -0.221 4.567 -1.153 0.00 0.00 +0.099 A ATOM 7 C LIG 1 -1.505 5.068 -1.200 0.00 0.00 +0.129 A ATOM 8 N LIG 1 -2.619 4.345 -0.941 0.00 0.00 -0.222 NA ATOM 9 C LIG 1 -2.448 3.054 -0.654 0.00 0.00 +0.216 A ATOM 10 N LIG 1 -3.579 2.311 -0.336 0.00 0.00 -0.309 N ATOM 11 H LIG 1 -4.273 2.984 -0.030 0.00 0.00 +0.149 HD ATOM 12 C LIG 1 -3.323 1.187 0.576 0.00 0.00 +0.087 C ATOM 13 C LIG 1 -2.991 -0.109 -0.212 0.00 0.00 +0.106 C ATOM 14 N LIG 1 -2.770 -1.275 0.673 0.00 0.00 -0.301 NA ATOM 15 C LIG 1 -2.450 -2.475 -0.124 0.00 0.00 +0.084 C ATOM 16 C LIG 1 -1.565 -3.471 0.649 0.00 0.00 +0.017 C ATOM 17 C LIG 1 -0.058 -3.313 0.379 0.00 0.00 +0.020 C ATOM 18 C LIG 1 0.317 -3.807 -1.021 0.00 0.00 +0.104 C ATOM 19 N LIG 1 1.743 -3.866 -1.291 0.00 0.00 -0.311 N ATOM 20 H LIG 1 2.173 -4.782 -1.336 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 2.655 -2.862 -1.486 0.00 0.00 +0.245 C ATOM 22 O LIG 1 3.812 -3.109 -1.812 0.00 0.00 -0.270 OA ATOM 23 C LIG 1 -3.956 -1.513 1.516 0.00 0.00 +0.084 C ATOM 24 C LIG 1 -4.335 -0.278 2.337 0.00 0.00 +0.017 C ATOM 25 C LIG 1 -4.560 0.941 1.447 0.00 0.00 +0.025 C ATOM 26 N LIG 1 -1.249 2.482 -0.612 0.00 0.00 -0.214 NA ATOM 27 C LIG 1 1.972 2.808 0.409 0.00 0.00 +0.093 A ATOM 28 C LIG 1 0.835 0.357 -2.038 0.00 0.00 +0.011 A ATOM 29 C LIG 1 1.298 -0.942 -2.196 0.00 0.00 +0.014 A ATOM 30 N LIG 1 2.826 1.744 0.550 0.00 0.00 -0.359 N ATOM 31 H LIG 1 3.580 1.737 1.218 0.00 0.00 +0.165 HD ATOM 32 C LIG 1 2.254 -1.452 -1.316 0.00 0.00 +0.049 A ENDROOT BRANCH 1 34 ATOM 33 C LIG 1 4.276 -0.425 2.300 0.00 0.00 +0.086 C ATOM 34 P LIG 1 4.027 -1.404 0.804 0.00 0.00 +0.113 P ATOM 35 O LIG 1 3.687 -2.798 1.273 0.00 0.00 -0.317 OA ATOM 36 C LIG 1 5.678 -1.348 0.089 0.00 0.00 +0.086 C ENDBRANCH 1 34 BRANCH 6 37 ATOM 37 C LIG 1 0.958 5.422 -1.416 0.00 0.00 +0.421 C ATOM 38 F LIG 1 1.619 5.778 -0.279 0.00 0.00 -0.166 F ATOM 39 F LIG 1 1.884 4.849 -2.232 0.00 0.00 -0.166 F ATOM 40 F LIG 1 0.630 6.600 -2.021 0.00 0.00 -0.166 F ENDBRANCH 6 37 TORSDOF 2