REMARK Name = BDB041360 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.231 -2.094 0.891 0.00 0.00 +0.122 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.537 -1.464 0.466 0.00 0.00 +0.002 A ATOM 3 C LIG 1 -3.127 -0.456 1.229 0.00 0.00 +0.132 A ATOM 4 F LIG 1 -2.515 -0.032 2.345 0.00 0.00 -0.205 F ATOM 5 C LIG 1 -4.345 0.138 0.863 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -4.907 1.220 1.745 0.00 0.00 +0.118 C ATOM 7 C LIG 1 -6.211 1.835 1.299 0.00 0.00 +0.170 C ATOM 8 C LIG 1 -6.867 1.347 0.071 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -6.284 0.332 -0.687 0.00 0.00 +0.082 A ATOM 10 N LIG 1 -6.869 -0.135 -1.825 0.00 0.00 -0.251 NA ATOM 11 C LIG 1 -8.046 0.420 -2.203 0.00 0.00 +0.149 A ATOM 12 C LIG 1 -8.675 1.428 -1.497 0.00 0.00 +0.142 A ATOM 13 F LIG 1 -9.837 1.936 -1.921 0.00 0.00 -0.204 F ATOM 14 C LIG 1 -8.082 1.904 -0.341 0.00 0.00 +0.053 A ATOM 15 O LIG 1 -6.743 2.739 1.943 0.00 0.00 -0.292 OA ATOM 16 C LIG 1 -5.008 -0.286 -0.300 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -4.413 -1.307 -1.064 0.00 0.00 +0.011 A ATOM 18 C LIG 1 -3.198 -1.889 -0.689 0.00 0.00 +0.008 A ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 -0.178 -1.996 -0.135 0.00 0.00 -0.295 NA ATOM 20 C LIG 1 0.995 -2.826 0.218 0.00 0.00 +0.103 C ATOM 21 C LIG 1 2.185 -2.076 0.863 0.00 0.00 +0.120 C ATOM 22 N LIG 1 2.645 -0.975 -0.001 0.00 0.00 -0.324 N ATOM 23 C LIG 1 1.649 -0.409 -0.925 0.00 0.00 +0.120 C ATOM 24 C LIG 1 0.219 -0.586 -0.363 0.00 0.00 +0.103 C BRANCH 22 25 ATOM 25 C LIG 1 3.943 -0.489 0.086 0.00 0.00 +0.085 A ATOM 26 C LIG 1 4.802 -0.693 1.190 0.00 0.00 +0.235 A ATOM 27 F LIG 1 4.340 -1.360 2.262 0.00 0.00 -0.182 F ATOM 28 N LIG 1 6.072 -0.241 1.305 0.00 0.00 -0.213 NA ATOM 29 C LIG 1 6.556 0.465 0.264 0.00 0.00 +0.129 A ATOM 30 C LIG 1 5.819 0.736 -0.881 0.00 0.00 +0.035 A ATOM 31 C LIG 1 4.511 0.253 -0.960 0.00 0.00 +0.030 A BRANCH 29 32 ATOM 32 C LIG 1 7.965 0.958 0.390 0.00 0.00 +0.262 C ATOM 33 N LIG 1 8.193 2.248 -0.068 0.00 0.00 -0.313 N ATOM 34 H LIG 1 7.396 2.857 -0.197 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 9.479 2.866 0.136 0.00 0.00 +0.128 C ATOM 36 O LIG 1 8.841 0.255 0.880 0.00 0.00 -0.269 OA ENDBRANCH 29 32 ENDBRANCH 22 25 ENDBRANCH 1 19 TORSDOF 4