REMARK Name = BDB037890 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.779 -0.889 0.151 0.00 0.00 +0.074 A ATOM 2 N LIG 1 2.222 -2.053 0.550 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.912 -2.244 0.265 0.00 0.00 +0.134 A ATOM 4 C LIG 1 0.069 -1.345 -0.404 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.653 -0.131 -0.794 0.00 0.00 -0.009 A ATOM 6 C LIG 1 2.029 0.067 -0.531 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.983 -0.475 1.074 0.00 0.00 +0.158 A ATOM 8 C LIG 1 6.416 -1.721 0.793 0.00 0.00 +0.166 A ATOM 9 F LIG 1 7.179 -2.825 0.805 0.00 0.00 -0.202 F ATOM 10 C LIG 1 5.060 -1.853 0.497 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.211 -0.733 0.466 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.796 0.508 0.762 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.050 1.624 0.787 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.158 0.645 1.059 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.926 0.775 1.652 0.00 0.00 +0.277 C ATOM 16 O LIG 1 8.323 -0.476 1.346 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.251 -1.750 -0.620 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.261 -1.122 0.260 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.500 -2.065 0.323 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.012 -2.304 -1.125 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -2.911 -2.791 -2.082 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -1.667 -1.902 -2.020 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.091 -3.415 0.854 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -2.262 -3.691 0.311 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -2.707 -3.293 1.794 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.597 -1.540 1.294 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.141 -0.135 1.023 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -4.186 0.785 1.312 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -5.466 0.046 -0.279 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -5.667 -2.505 1.367 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -5.214 -3.373 1.286 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 -0.093 0.962 -1.539 0.00 0.00 +0.122 C BRANCH 32 33 ATOM 33 N LIG 1 0.295 2.335 -1.141 0.00 0.00 -0.287 NA ATOM 34 C LIG 1 -0.206 2.641 0.242 0.00 0.00 +0.142 C ATOM 35 C LIG 1 -1.499 3.389 0.070 0.00 0.00 +0.078 A ATOM 36 C LIG 1 -1.627 3.779 -1.251 0.00 0.00 +0.078 A ATOM 37 N LIG 1 -2.685 4.457 -1.730 0.00 0.00 -0.255 NA ATOM 38 C LIG 1 -3.624 4.720 -0.787 0.00 0.00 +0.131 A ATOM 39 C LIG 1 -3.493 4.329 0.548 0.00 0.00 +0.131 A ATOM 40 N LIG 1 -2.416 3.651 1.018 0.00 0.00 -0.255 NA ATOM 41 C LIG 1 -0.417 3.324 -2.017 0.00 0.00 +0.142 C ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9