REMARK Name = BDB007406 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.889 1.169 -0.811 0.00 0.00 +0.149 C ATOM 2 C LIG 1 -0.222 1.154 -1.875 0.00 0.00 +0.066 C ATOM 3 C LIG 1 -1.503 1.199 -1.005 0.00 0.00 +0.098 C ATOM 4 C LIG 1 -2.062 2.589 -0.699 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -3.383 2.661 -1.153 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -4.164 3.791 -1.022 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -3.579 4.901 -0.410 0.00 0.00 +0.078 A ATOM 8 C LIG 1 -2.254 4.845 0.058 0.00 0.00 +0.142 A ATOM 9 F LIG 1 -1.696 5.913 0.644 0.00 0.00 -0.204 F ATOM 10 CL LIG 1 -4.510 6.341 -0.216 0.00 0.00 -0.081 Cl ATOM 11 N LIG 1 -3.751 1.463 -1.739 0.00 0.00 -0.284 N ATOM 12 H LIG 1 -4.635 1.273 -2.188 0.00 0.00 +0.155 HD ATOM 13 C LIG 1 -1.487 3.683 -0.072 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -2.703 0.551 -1.744 0.00 0.00 +0.230 C ATOM 15 O LIG 1 -2.751 -0.546 -2.270 0.00 0.00 -0.274 OA ATOM 16 C LIG 1 -1.122 0.472 0.311 0.00 0.00 +0.074 C ATOM 17 N LIG 1 0.351 0.463 0.382 0.00 0.00 -0.301 NA ATOM 18 H LIG 1 0.670 0.928 1.234 0.00 0.00 +0.123 HD ENDROOT BRANCH 2 19 ATOM 19 C LIG 1 -0.160 2.209 -2.984 0.00 0.00 -0.040 A ATOM 20 C LIG 1 -0.989 2.059 -4.114 0.00 0.00 +0.024 A ATOM 21 C LIG 1 -1.018 3.031 -5.117 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -2.078 2.855 -6.460 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -0.210 4.161 -5.026 0.00 0.00 +0.020 A ATOM 24 C LIG 1 0.642 4.309 -3.936 0.00 0.00 +0.002 A ATOM 25 C LIG 1 0.670 3.341 -2.928 0.00 0.00 +0.004 A ENDBRANCH 2 19 BRANCH 1 27 ATOM 26 O LIG 1 2.527 0.355 -2.441 0.00 0.00 -0.274 OA ATOM 27 C LIG 1 2.192 0.479 -1.268 0.00 0.00 +0.231 C ATOM 28 N LIG 1 2.992 0.101 -0.203 0.00 0.00 -0.314 N ATOM 29 H LIG 1 2.461 -0.109 0.646 0.00 0.00 +0.149 HD BRANCH 28 30 ATOM 30 C LIG 1 4.184 -0.698 -0.375 0.00 0.00 +0.107 C BRANCH 30 31 ATOM 31 C LIG 1 4.949 -0.824 0.941 0.00 0.00 +0.052 C BRANCH 31 32 ATOM 32 C LIG 1 4.199 -1.663 1.978 0.00 0.00 +0.141 C BRANCH 32 33 ATOM 33 O LIG 1 2.945 -1.048 2.300 0.00 0.00 -0.389 OA ATOM 34 H LIG 1 2.578 -1.614 3.011 0.00 0.00 +0.210 HD ENDBRANCH 32 33 BRANCH 32 35 ATOM 35 C LIG 1 4.998 -1.826 3.274 0.00 0.00 +0.187 C BRANCH 35 36 ATOM 36 O LIG 1 4.236 -2.637 4.173 0.00 0.00 -0.392 OA ATOM 37 H LIG 1 4.813 -2.839 4.933 0.00 0.00 +0.210 HD ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 1 27 BRANCH 16 38 ATOM 38 C LIG 1 -1.618 -0.981 0.465 0.00 0.00 +0.020 C BRANCH 38 39 ATOM 39 C LIG 1 -1.195 -1.622 1.796 0.00 0.00 +0.005 C BRANCH 39 40 ATOM 40 C LIG 1 -1.837 -2.991 2.016 0.00 0.00 -0.011 C ATOM 41 C LIG 1 -1.374 -4.071 1.036 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -1.783 -5.371 1.719 0.00 0.00 +0.000 C ATOM 43 C LIG 1 -1.704 -5.095 3.222 0.00 0.00 +0.000 C ATOM 44 C LIG 1 -1.454 -3.594 3.371 0.00 0.00 +0.003 C ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 16 38 TORSDOF 11