REMARK Name = BDB022934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.375 0.797 1.675 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -0.016 -0.590 1.128 0.00 0.00 +0.078 C ATOM 3 N LIG 1 0.092 -0.573 -0.341 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -0.985 -0.693 -1.222 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -0.849 -0.426 -2.419 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 1.290 0.064 -0.910 0.00 0.00 +0.163 C ATOM 7 C LIG 1 2.537 -0.001 -0.060 0.00 0.00 +0.067 A ATOM 8 C LIG 1 2.509 -0.557 1.202 0.00 0.00 -0.005 A ATOM 9 C LIG 1 3.713 -0.574 1.866 0.00 0.00 +0.120 A ATOM 10 N LIG 1 4.851 -0.060 1.363 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 4.790 0.486 0.140 0.00 0.00 +0.220 A ATOM 12 N LIG 1 3.663 0.530 -0.590 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 1.265 -1.161 1.766 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -2.309 -1.255 -0.692 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -3.498 -0.851 -1.600 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.771 -1.656 -1.245 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -4.526 -3.107 -1.256 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -5.765 -3.837 -0.986 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.492 -3.469 -0.286 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -2.173 -2.785 -0.632 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -3.760 0.655 -1.545 0.00 0.00 -0.039 A ATOM 22 C LIG 1 -4.306 1.280 -0.408 0.00 0.00 +0.050 A ATOM 23 C LIG 1 -4.526 2.662 -0.385 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -4.172 3.428 -1.497 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -3.618 2.827 -2.625 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -3.417 1.449 -2.649 0.00 0.00 +0.004 A BRANCH 23 27 ATOM 27 O LIG 1 -5.061 3.381 0.645 0.00 0.00 -0.406 OA BRANCH 27 28 ATOM 28 C LIG 1 -5.614 2.664 1.735 0.00 0.00 +0.575 C ATOM 29 F LIG 1 -6.570 1.800 1.327 0.00 0.00 -0.133 F ATOM 30 F LIG 1 -4.656 1.987 2.406 0.00 0.00 -0.133 F ATOM 31 F LIG 1 -6.184 3.545 2.588 0.00 0.00 -0.133 F ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 32 ATOM 32 N LIG 1 5.903 1.070 -0.466 0.00 0.00 -0.281 N ATOM 33 H LIG 1 5.596 1.429 -1.362 0.00 0.00 +0.155 HD BRANCH 32 34 ATOM 34 C LIG 1 7.167 1.254 -0.041 0.00 0.00 +0.071 A ATOM 35 C LIG 1 7.761 0.835 1.123 0.00 0.00 +0.131 A ATOM 36 N LIG 1 9.048 1.283 1.073 0.00 0.00 -0.273 N ATOM 37 C LIG 1 10.075 1.083 2.065 0.00 0.00 +0.172 C ATOM 38 N LIG 1 9.336 1.971 -0.049 0.00 0.00 -0.178 NA ATOM 39 C LIG 1 8.186 1.944 -0.730 0.00 0.00 +0.157 A ENDBRANCH 32 34 ENDBRANCH 11 32 TORSDOF 6