REMARK Name = BDB063057 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.129 -0.303 0.452 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -1.048 -0.505 1.835 0.00 0.00 +0.056 A ATOM 3 CL LIG 1 -2.314 -1.220 2.766 0.00 0.00 -0.083 Cl ATOM 4 C LIG 1 0.114 -0.144 2.523 0.00 0.00 +0.059 A ATOM 5 C LIG 1 1.193 0.409 1.836 0.00 0.00 +0.137 A ATOM 6 F LIG 1 2.283 0.735 2.547 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.142 0.612 0.457 0.00 0.00 +0.073 A ATOM 8 C LIG 1 -0.026 0.246 -0.230 0.00 0.00 +0.030 A ENDROOT BRANCH 1 11 ATOM 9 N LIG 1 -3.538 -0.296 0.135 0.00 0.00 -0.281 N ATOM 10 H LIG 1 -3.533 0.123 1.054 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 -2.310 -0.662 -0.381 0.00 0.00 +0.250 C ATOM 12 O LIG 1 -2.087 -1.204 -1.458 0.00 0.00 -0.270 OA BRANCH 9 15 ATOM 13 C LIG 1 -5.868 0.579 1.633 0.00 0.00 +0.045 C ATOM 14 C LIG 1 -5.957 -0.045 0.266 0.00 0.00 -0.029 A ATOM 15 C LIG 1 -4.816 -0.470 -0.451 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -4.990 -1.044 -1.716 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -6.264 -1.202 -2.267 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -7.386 -0.788 -1.561 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -7.234 -0.214 -0.302 0.00 0.00 +0.005 A ENDBRANCH 9 15 ENDBRANCH 1 11 BRANCH 7 20 ATOM 20 C LIG 1 2.267 1.204 -0.321 0.00 0.00 +0.247 C ATOM 21 N LIG 1 3.427 1.493 0.358 0.00 0.00 -0.307 N ATOM 22 H LIG 1 3.526 1.208 1.325 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 2.126 1.410 -1.522 0.00 0.00 -0.270 OA BRANCH 21 24 ATOM 24 C LIG 1 4.627 1.925 -0.323 0.00 0.00 +0.139 C BRANCH 24 25 ATOM 25 C LIG 1 5.594 0.778 -0.469 0.00 0.00 -0.030 A ATOM 26 C LIG 1 5.430 -0.154 -1.504 0.00 0.00 +0.005 A ATOM 27 C LIG 1 6.307 -1.232 -1.633 0.00 0.00 +0.000 A ATOM 28 C LIG 1 7.353 -1.391 -0.726 0.00 0.00 +0.000 A ATOM 29 C LIG 1 7.521 -0.476 0.312 0.00 0.00 +0.000 A ATOM 30 C LIG 1 6.644 0.602 0.443 0.00 0.00 +0.005 A ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 7 20 TORSDOF 5