REMARK Name = BDB009310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.085 -0.852 -0.121 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.357 -2.140 -0.426 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.409 -2.992 -1.126 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.609 -2.587 -0.009 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.442 -1.744 0.727 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.022 -0.448 1.054 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.760 -0.009 0.619 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 1.791 0.774 -0.151 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.417 -0.329 -0.539 0.00 0.00 +0.247 C ATOM 10 N LIG 1 2.188 -1.128 -1.354 0.00 0.00 -0.310 N ATOM 11 H LIG 1 1.865 -2.056 -1.603 0.00 0.00 +0.149 HD BRANCH 10 12 ATOM 12 C LIG 1 3.516 -0.727 -1.787 0.00 0.00 +0.120 C BRANCH 12 13 ATOM 13 C LIG 1 4.570 -0.899 -0.675 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 N LIG 1 5.960 -0.717 -1.138 0.00 0.00 -0.301 NA ATOM 15 C LIG 1 6.261 0.659 -1.568 0.00 0.00 +0.084 C ATOM 16 C LIG 1 6.338 1.671 -0.423 0.00 0.00 +0.015 C ATOM 17 C LIG 1 7.324 1.218 0.649 0.00 0.00 +0.002 C ATOM 18 C LIG 1 7.037 -0.215 1.086 0.00 0.00 +0.015 C ATOM 19 C LIG 1 6.929 -1.153 -0.119 0.00 0.00 +0.084 C ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 1 9 BRANCH 6 20 ATOM 20 C LIG 1 -2.924 0.484 1.833 0.00 0.00 +0.094 C BRANCH 20 21 ATOM 21 C LIG 1 -3.919 1.204 0.931 0.00 0.00 +0.087 A ATOM 22 C LIG 1 -5.294 0.621 0.730 0.00 0.00 +0.059 A ATOM 23 N LIG 1 -5.739 -0.493 1.439 0.00 0.00 -0.342 N ATOM 24 H LIG 1 -5.339 -0.578 2.369 0.00 0.00 +0.146 HD ATOM 25 C LIG 1 -7.150 -0.875 1.395 0.00 0.00 +0.102 C ATOM 26 C LIG 1 -7.680 -0.701 -0.024 0.00 0.00 +0.023 C ATOM 27 C LIG 1 -7.439 0.727 -0.529 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -6.064 1.232 -0.186 0.00 0.00 +0.041 A ATOM 29 C LIG 1 -5.591 2.453 -0.875 0.00 0.00 +0.270 A ATOM 30 O LIG 1 -6.282 3.033 -1.706 0.00 0.00 -0.266 OA ATOM 31 N LIG 1 -4.351 2.905 -0.511 0.00 0.00 -0.243 N ATOM 32 H LIG 1 -4.002 3.734 -0.981 0.00 0.00 +0.192 HD ATOM 33 N LIG 1 -3.498 2.289 0.350 0.00 0.00 -0.174 NA ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 6