REMARK Name = BDB025926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.325 -0.644 0.286 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.827 0.183 0.341 0.00 0.00 +0.056 A ATOM 3 C LIG 1 2.104 -0.353 0.137 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.281 -1.726 -0.103 0.00 0.00 +0.016 A ATOM 5 C LIG 1 1.135 -2.529 -0.147 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.235 -3.848 -0.371 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.144 -2.005 0.045 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.583 -1.983 1.872 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.553 -1.641 0.781 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.202 -1.125 -0.462 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.075 -2.139 -1.067 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.154 -0.667 -1.425 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.752 -0.062 -2.705 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.221 0.406 -0.798 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.586 -0.045 0.457 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.533 -0.646 1.412 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.636 -2.284 -0.333 0.00 0.00 -0.028 C ATOM 18 C LIG 1 3.801 -3.313 -1.435 0.00 0.00 +0.116 C ATOM 19 N LIG 1 5.189 -3.451 -1.908 0.00 0.00 -0.312 NA ATOM 20 H LIG 1 5.442 -2.580 -2.374 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 6.084 -3.647 -0.762 0.00 0.00 +0.085 C ATOM 22 C LIG 1 6.069 -2.444 0.192 0.00 0.00 +0.042 C ATOM 23 C LIG 1 4.689 -1.887 0.409 0.00 0.00 -0.020 C ENDBRANCH 4 17 BRANCH 2 24 ATOM 24 N LIG 1 0.586 1.544 0.634 0.00 0.00 -0.280 N ATOM 25 H LIG 1 -0.405 1.729 0.776 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 1.500 2.550 0.819 0.00 0.00 +0.250 C ATOM 27 O LIG 1 2.720 2.481 0.755 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 0.854 3.841 1.186 0.00 0.00 +0.065 A ATOM 29 C LIG 1 0.115 4.675 0.246 0.00 0.00 +0.073 A ATOM 30 C LIG 1 -0.420 5.835 0.677 0.00 0.00 +0.083 A ATOM 31 C LIG 1 -0.265 6.262 2.090 0.00 0.00 +0.249 A ATOM 32 O LIG 1 -0.759 7.306 2.494 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 0.459 5.416 2.892 0.00 0.00 -0.328 N ATOM 34 H LIG 1 0.581 5.715 3.853 0.00 0.00 +0.168 HD ATOM 35 C LIG 1 1.014 4.237 2.459 0.00 0.00 +0.099 A BRANCH 29 36 ATOM 36 C LIG 1 0.000 4.230 -1.178 0.00 0.00 +0.418 C ATOM 37 F LIG 1 -0.558 5.182 -1.972 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -0.793 3.134 -1.290 0.00 0.00 -0.166 F ATOM 39 F LIG 1 1.197 3.922 -1.730 0.00 0.00 -0.166 F ENDBRANCH 29 36 ENDBRANCH 26 28 ENDBRANCH 2 24 TORSDOF 5