REMARK Name = BDB007359 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.752 0.478 -1.132 0.00 0.00 +0.150 C ATOM 2 C LIG 1 0.229 -0.444 0.009 0.00 0.00 +0.066 C ATOM 3 C LIG 1 -1.243 0.029 0.247 0.00 0.00 +0.098 C ATOM 4 C LIG 1 -2.241 -0.992 0.769 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -2.584 -0.678 2.084 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -3.471 -1.423 2.835 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -4.047 -2.535 2.220 0.00 0.00 +0.078 A ATOM 8 C LIG 1 -3.733 -2.855 0.890 0.00 0.00 +0.142 A ATOM 9 F LIG 1 -4.299 -3.917 0.297 0.00 0.00 -0.204 F ATOM 10 CL LIG 1 -5.159 -3.503 3.110 0.00 0.00 -0.081 Cl ATOM 11 N LIG 1 -1.937 0.477 2.475 0.00 0.00 -0.284 N ATOM 12 H LIG 1 -2.037 0.944 3.365 0.00 0.00 +0.155 HD ATOM 13 C LIG 1 -2.835 -2.083 0.150 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -1.167 1.004 1.447 0.00 0.00 +0.230 C ATOM 15 O LIG 1 -0.507 2.024 1.543 0.00 0.00 -0.274 OA ATOM 16 C LIG 1 -1.615 0.648 -1.104 0.00 0.00 +0.075 C ATOM 17 N LIG 1 -0.404 1.293 -1.620 0.00 0.00 -0.301 NA ATOM 18 H LIG 1 -0.280 2.225 -1.202 0.00 0.00 +0.123 HD ENDROOT BRANCH 1 24 ATOM 19 C LIG 1 6.391 -1.046 1.248 0.00 0.00 +0.105 C ATOM 20 N LIG 1 5.877 -0.031 0.333 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 5.170 1.035 1.074 0.00 0.00 +0.103 C ATOM 22 C LIG 1 4.136 1.793 0.225 0.00 0.00 +0.123 C ATOM 23 N LIG 1 3.106 0.893 -0.303 0.00 0.00 -0.298 N ATOM 24 C LIG 1 1.880 1.436 -0.657 0.00 0.00 +0.233 C ATOM 25 O LIG 1 1.678 2.654 -0.601 0.00 0.00 -0.274 OA ATOM 26 C LIG 1 3.529 -0.491 -0.537 0.00 0.00 +0.123 C ATOM 27 C LIG 1 5.052 -0.615 -0.741 0.00 0.00 +0.103 C ENDBRANCH 1 24 BRANCH 2 28 ATOM 28 C LIG 1 0.398 -1.936 -0.270 0.00 0.00 -0.040 A ATOM 29 C LIG 1 0.204 -2.505 -1.540 0.00 0.00 +0.024 A ATOM 30 C LIG 1 0.357 -3.880 -1.731 0.00 0.00 +0.041 A ATOM 31 CL LIG 1 0.112 -4.553 -3.295 0.00 0.00 -0.084 Cl ATOM 32 C LIG 1 0.697 -4.710 -0.667 0.00 0.00 +0.020 A ATOM 33 C LIG 1 0.884 -4.163 0.600 0.00 0.00 +0.002 A ATOM 34 C LIG 1 0.734 -2.789 0.797 0.00 0.00 +0.004 A ENDBRANCH 2 28 BRANCH 16 35 ATOM 35 C LIG 1 -2.946 1.404 -1.332 0.00 0.00 +0.026 C BRANCH 35 36 ATOM 36 C LIG 1 -3.315 2.824 -0.804 0.00 0.00 -0.036 C ATOM 37 C LIG 1 -4.523 3.308 -1.652 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -2.200 3.862 -0.968 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -3.793 2.805 0.656 0.00 0.00 +0.010 C ENDBRANCH 35 36 ENDBRANCH 16 35 TORSDOF 4