REMARK Name = BDB031430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.152 0.175 0.328 0.00 0.00 +0.195 C ATOM 2 N LIG 1 0.193 0.799 -0.992 0.00 0.00 -0.256 N ATOM 3 C LIG 1 -0.829 0.371 -1.815 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -1.095 0.749 -2.938 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -1.565 -0.665 -1.081 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -2.646 -1.426 -1.494 0.00 0.00 +0.020 A ATOM 7 C LIG 1 -3.177 -2.380 -0.605 0.00 0.00 -0.013 A ATOM 8 C LIG 1 -2.575 -2.518 0.672 0.00 0.00 +0.045 A ATOM 9 C LIG 1 -1.486 -1.731 1.054 0.00 0.00 +0.132 A ATOM 10 F LIG 1 -0.941 -1.895 2.264 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -0.981 -0.803 0.174 0.00 0.00 +0.054 A ENDROOT BRANCH 1 12 ATOM 12 C LIG 1 -0.160 1.200 1.435 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.688 1.355 2.549 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.415 2.302 3.541 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.716 3.106 3.439 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -1.041 4.283 4.650 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -1.582 2.966 2.360 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -1.308 2.020 1.368 0.00 0.00 +0.010 A ENDBRANCH 1 12 BRANCH 7 19 ATOM 19 C LIG 1 -4.366 -3.256 -1.000 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -5.552 -3.043 -0.051 0.00 0.00 +0.046 C ATOM 21 C LIG 1 -3.962 -4.735 -1.046 0.00 0.00 +0.046 C BRANCH 19 22 ATOM 22 O LIG 1 -4.810 -2.895 -2.312 0.00 0.00 -0.385 OA ATOM 23 H LIG 1 -5.556 -3.473 -2.546 0.00 0.00 +0.211 HD ENDBRANCH 19 22 ENDBRANCH 7 19 BRANCH 1 24 ATOM 24 O LIG 1 1.401 -0.463 0.601 0.00 0.00 -0.345 OA BRANCH 24 25 ATOM 25 C LIG 1 1.819 -1.494 -0.294 0.00 0.00 +0.189 C BRANCH 25 26 ATOM 26 C LIG 1 3.248 -1.875 0.075 0.00 0.00 +0.058 C ATOM 27 C LIG 1 3.740 -3.249 -0.324 0.00 0.00 +0.030 C ATOM 28 C LIG 1 3.430 -2.964 1.114 0.00 0.00 +0.030 C BRANCH 26 31 ATOM 29 C LIG 1 5.458 1.066 -0.828 0.00 0.00 +0.109 C ATOM 30 C LIG 1 4.606 -0.152 -1.062 0.00 0.00 +0.210 C ATOM 31 N LIG 1 4.187 -0.774 0.096 0.00 0.00 -0.308 N ATOM 32 H LIG 1 4.234 -0.247 0.960 0.00 0.00 +0.149 HD ATOM 33 O LIG 1 4.331 -0.545 -2.192 0.00 0.00 -0.276 OA ENDBRANCH 26 31 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 BRANCH 2 34 ATOM 34 C LIG 1 1.212 1.753 -1.402 0.00 0.00 +0.166 C BRANCH 34 35 ATOM 35 C LIG 1 0.930 3.173 -0.969 0.00 0.00 +0.059 A ATOM 36 N LIG 1 1.702 3.684 0.027 0.00 0.00 -0.257 NA ATOM 37 C LIG 1 1.404 4.934 0.459 0.00 0.00 +0.131 A ATOM 38 C LIG 1 0.381 5.709 -0.063 0.00 0.00 +0.059 A ATOM 39 CL LIG 1 0.063 7.279 0.551 0.00 0.00 -0.082 Cl ATOM 40 C LIG 1 -0.385 5.182 -1.095 0.00 0.00 +0.023 A ATOM 41 C LIG 1 -0.109 3.896 -1.557 0.00 0.00 +0.026 A ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 9