REMARK Name = BDB063189 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.016 -1.865 -0.345 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.896 -1.074 0.339 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -2.262 -1.129 0.018 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.753 -1.989 -0.973 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -1.804 -2.776 -1.649 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.443 -2.731 -1.330 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -4.100 -2.044 -1.347 0.00 0.00 -0.323 N ATOM 8 C LIG 1 -5.159 -1.234 -0.678 0.00 0.00 +0.090 C ATOM 9 C LIG 1 -6.464 -2.002 -0.971 0.00 0.00 +0.042 C ATOM 10 C LIG 1 -7.587 -1.684 -0.000 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -5.999 -3.448 -0.885 0.00 0.00 +0.188 C ATOM 12 F LIG 1 -6.868 -4.263 -1.533 0.00 0.00 -0.244 F ATOM 13 C LIG 1 -4.649 -3.416 -1.594 0.00 0.00 +0.142 C BRANCH 8 14 ATOM 14 C LIG 1 -5.180 0.204 -1.183 0.00 0.00 +0.143 C BRANCH 14 15 ATOM 15 C LIG 1 -5.435 0.299 -2.660 0.00 0.00 +0.306 C ATOM 16 O LIG 1 -6.448 0.770 -3.166 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 -4.422 -0.216 -3.401 0.00 0.00 -0.481 OA ATOM 18 H LIG 1 -3.871 -0.851 -2.885 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 4 7 BRANCH 1 19 ATOM 19 O LIG 1 1.353 -1.926 -0.078 0.00 0.00 -0.488 OA BRANCH 19 24 ATOM 20 N LIG 1 4.042 1.143 0.403 0.00 0.00 -0.328 N ATOM 21 C LIG 1 4.366 -0.131 1.052 0.00 0.00 +0.112 C ATOM 22 C LIG 1 3.065 -0.913 1.284 0.00 0.00 +0.044 C ATOM 23 C LIG 1 2.450 -0.553 2.640 0.00 0.00 +0.013 C ATOM 24 C LIG 1 2.034 -0.678 0.146 0.00 0.00 +0.179 C ATOM 25 C LIG 1 2.731 -0.269 -1.154 0.00 0.00 +0.064 C ATOM 26 C LIG 1 3.491 1.048 -0.963 0.00 0.00 +0.109 C BRANCH 20 32 ATOM 27 C LIG 1 5.385 4.420 1.361 0.00 0.00 +0.216 A ATOM 28 N LIG 1 6.697 4.391 1.046 0.00 0.00 -0.220 NA ATOM 29 C LIG 1 7.137 3.242 0.470 0.00 0.00 +0.136 A ATOM 30 C LIG 1 6.342 2.127 0.201 0.00 0.00 +0.080 A ATOM 31 CL LIG 1 7.083 0.774 -0.582 0.00 0.00 -0.080 Cl ATOM 32 C LIG 1 4.983 2.174 0.555 0.00 0.00 +0.055 A ATOM 33 C LIG 1 4.511 3.368 1.128 0.00 0.00 +0.091 A BRANCH 27 35 ATOM 34 C LIG 1 5.793 6.503 2.353 0.00 0.00 +0.279 C ATOM 35 O LIG 1 4.831 5.532 1.959 0.00 0.00 -0.480 OA ENDBRANCH 27 35 ENDBRANCH 20 32 ENDBRANCH 19 24 ENDBRANCH 1 19 TORSDOF 8