REMARK Name = BDB040353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.618 0.562 -0.491 0.00 0.00 -0.030 A ATOM 2 C LIG 1 0.379 -0.095 -0.363 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -0.749 0.578 0.109 0.00 0.00 +0.130 A ATOM 4 N LIG 1 -0.675 1.864 0.484 0.00 0.00 -0.217 NA ATOM 5 C LIG 1 0.479 2.534 0.374 0.00 0.00 +0.121 A ATOM 6 C LIG 1 1.627 1.912 -0.101 0.00 0.00 +0.048 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.997 -0.071 0.207 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -3.180 0.553 0.604 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -3.428 1.702 0.920 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -4.225 -0.479 0.575 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -5.565 -0.364 0.893 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -6.355 -1.508 0.780 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -5.793 -2.728 0.357 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -4.426 -2.831 0.036 0.00 0.00 +0.060 A ATOM 15 C LIG 1 -3.655 -1.677 0.154 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -2.200 -1.468 -0.116 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -3.813 -4.127 -0.419 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -2.784 -4.517 0.384 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -3.283 -4.032 -1.670 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -4.683 -5.171 -0.454 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 21 ATOM 21 C LIG 1 2.974 -0.181 -1.015 0.00 0.00 +0.049 C ATOM 22 C LIG 1 3.735 0.565 -2.160 0.00 0.00 +0.174 C ATOM 23 O LIG 1 3.118 -0.295 -3.157 0.00 0.00 -0.378 OA ATOM 24 C LIG 1 2.801 -1.262 -2.127 0.00 0.00 +0.174 C BRANCH 21 25 ATOM 25 C LIG 1 3.778 -0.598 0.230 0.00 0.00 +0.092 C BRANCH 25 28 ATOM 26 C LIG 1 4.371 -3.627 0.721 0.00 0.00 +0.151 C ATOM 27 N LIG 1 5.290 -2.647 0.210 0.00 0.00 -0.320 N ATOM 28 C LIG 1 5.059 -1.314 -0.018 0.00 0.00 +0.134 A ATOM 29 N LIG 1 6.176 -0.770 -0.457 0.00 0.00 -0.135 NA ATOM 30 N LIG 1 7.131 -1.752 -0.543 0.00 0.00 -0.138 NA ATOM 31 C LIG 1 6.586 -2.873 -0.136 0.00 0.00 +0.224 A ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 1 21 BRANCH 5 32 ATOM 32 N LIG 1 0.560 3.869 0.788 0.00 0.00 -0.329 N ATOM 33 H LIG 1 0.982 4.440 0.062 0.00 0.00 +0.147 HD BRANCH 32 34 ATOM 34 C LIG 1 -0.668 4.451 1.345 0.00 0.00 +0.111 C BRANCH 34 35 ATOM 35 C LIG 1 -1.694 4.791 0.274 0.00 0.00 +0.132 C BRANCH 35 36 ATOM 36 C LIG 1 -2.841 5.550 0.888 0.00 0.00 +0.392 C ATOM 37 F LIG 1 -2.415 6.735 1.387 0.00 0.00 -0.171 F ATOM 38 F LIG 1 -3.437 4.879 1.892 0.00 0.00 -0.171 F ATOM 39 F LIG 1 -3.783 5.830 -0.042 0.00 0.00 -0.171 F ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 5 32 TORSDOF 9