REMARK Name = BDB009294 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.258 0.473 -0.675 0.00 0.00 +0.069 A ATOM 2 C LIG 1 1.259 0.372 -2.071 0.00 0.00 +0.145 A ATOM 3 F LIG 1 2.263 -0.275 -2.685 0.00 0.00 -0.204 F ATOM 4 C LIG 1 0.248 0.933 -2.843 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -0.795 1.611 -2.217 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.826 1.728 -0.819 0.00 0.00 -0.040 A ATOM 7 C LIG 1 0.215 1.166 -0.057 0.00 0.00 +0.030 A ENDROOT BRANCH 1 10 ATOM 8 O LIG 1 1.771 0.198 2.248 0.00 0.00 -0.274 OA ATOM 9 C LIG 1 2.536 -0.209 1.377 0.00 0.00 +0.235 C ATOM 10 N LIG 1 2.324 -0.135 0.015 0.00 0.00 -0.282 N ATOM 11 H LIG 1 3.009 -0.611 -0.566 0.00 0.00 +0.155 HD BRANCH 9 12 ATOM 12 C LIG 1 3.814 -0.972 1.752 0.00 0.00 +0.203 C BRANCH 12 13 ATOM 13 N LIG 1 4.819 -0.991 0.693 0.00 0.00 -0.293 N ATOM 14 C LIG 1 5.150 -2.114 -0.047 0.00 0.00 +0.216 C ATOM 15 O LIG 1 4.583 -3.191 -0.016 0.00 0.00 -0.276 OA ATOM 16 C LIG 1 6.360 -1.773 -0.881 0.00 0.00 +0.097 C ATOM 17 C LIG 1 6.386 -0.248 -0.841 0.00 0.00 +0.028 C ATOM 18 C LIG 1 5.747 0.093 0.491 0.00 0.00 +0.109 C ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 6 19 ATOM 19 C LIG 1 -1.953 2.469 -0.136 0.00 0.00 +0.092 C BRANCH 19 20 ATOM 20 C LIG 1 -3.328 1.878 -0.434 0.00 0.00 +0.069 A ATOM 21 C LIG 1 -3.765 0.623 0.257 0.00 0.00 -0.016 A ATOM 22 C LIG 1 -2.892 -0.043 1.284 0.00 0.00 +0.037 C ATOM 23 C LIG 1 -3.632 -1.092 2.121 0.00 0.00 +0.005 C ATOM 24 C LIG 1 -4.512 -1.971 1.242 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -5.545 -1.132 0.488 0.00 0.00 +0.041 C ATOM 26 C LIG 1 -4.970 0.135 -0.084 0.00 0.00 +0.023 A ATOM 27 C LIG 1 -5.811 0.851 -1.077 0.00 0.00 +0.268 A ATOM 28 O LIG 1 -6.922 0.443 -1.399 0.00 0.00 -0.266 OA ATOM 29 N LIG 1 -5.272 1.993 -1.604 0.00 0.00 -0.243 N ATOM 30 H LIG 1 -5.832 2.497 -2.284 0.00 0.00 +0.192 HD ATOM 31 N LIG 1 -4.052 2.512 -1.309 0.00 0.00 -0.175 NA ENDBRANCH 19 20 ENDBRANCH 6 19 TORSDOF 5