REMARK Name = BDB014394 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.767 -0.380 -0.180 0.00 0.00 +0.067 A ATOM 2 C LIG 1 -3.633 0.455 -0.106 0.00 0.00 +0.103 A ATOM 3 C LIG 1 -3.677 1.699 -0.737 0.00 0.00 +0.071 A ATOM 4 N LIG 1 -2.447 2.252 -0.486 0.00 0.00 -0.326 N ATOM 5 H LIG 1 -2.137 3.173 -0.749 0.00 0.00 +0.169 HD ATOM 6 C LIG 1 -1.706 1.357 0.240 0.00 0.00 +0.197 A ATOM 7 C LIG 1 -4.792 2.171 -1.433 0.00 0.00 +0.066 A ATOM 8 C LIG 1 -5.898 1.323 -1.483 0.00 0.00 +0.126 A ATOM 9 F LIG 1 -6.994 1.730 -2.136 0.00 0.00 -0.205 F ATOM 10 N LIG 1 -2.402 0.272 0.480 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 -5.902 0.073 -0.875 0.00 0.00 +0.053 A ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 -0.446 1.659 0.649 0.00 0.00 -0.298 N ATOM 13 C LIG 1 0.165 0.696 1.593 0.00 0.00 +0.127 C ATOM 14 C LIG 1 1.092 -0.305 0.871 0.00 0.00 +0.125 C ATOM 15 N LIG 1 2.120 0.381 0.052 0.00 0.00 -0.311 N ATOM 16 C LIG 1 1.968 1.842 -0.074 0.00 0.00 +0.125 C ATOM 17 C LIG 1 0.493 2.211 -0.357 0.00 0.00 +0.127 C BRANCH 15 18 ATOM 18 C LIG 1 3.430 -0.088 0.114 0.00 0.00 +0.144 A ATOM 19 N LIG 1 4.468 0.777 0.114 0.00 0.00 -0.134 NA ATOM 20 N LIG 1 5.783 0.346 0.157 0.00 0.00 -0.143 NA ATOM 21 C LIG 1 6.063 -0.973 0.173 0.00 0.00 +0.166 A ATOM 22 C LIG 1 5.032 -1.901 0.162 0.00 0.00 +0.037 A ATOM 23 C LIG 1 3.711 -1.450 0.124 0.00 0.00 +0.047 A BRANCH 21 24 ATOM 24 C LIG 1 7.504 -1.414 0.240 0.00 0.00 +0.436 C ATOM 25 F LIG 1 8.390 -0.511 -0.266 0.00 0.00 -0.164 F ATOM 26 F LIG 1 7.732 -2.572 -0.450 0.00 0.00 -0.164 F ATOM 27 F LIG 1 7.915 -1.669 1.516 0.00 0.00 -0.164 F ENDBRANCH 21 24 ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 1 31 ATOM 28 N LIG 1 -5.399 -2.713 -0.196 0.00 0.00 -0.325 N ATOM 29 H LIG 1 -5.287 -3.637 0.202 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 -5.597 -2.652 -1.185 0.00 0.00 +0.145 HD ATOM 31 C LIG 1 -4.770 -1.701 0.481 0.00 0.00 +0.244 C ATOM 32 O LIG 1 -4.257 -1.907 1.571 0.00 0.00 -0.270 OA ENDBRANCH 1 31 TORSDOF 4