REMARK Name = BDB054165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.232 -0.938 0.349 0.00 0.00 -0.017 A ATOM 2 C LIG 1 1.048 0.428 0.600 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -0.058 1.135 0.091 0.00 0.00 -0.046 A ATOM 4 C LIG 1 -0.139 2.610 0.383 0.00 0.00 +0.044 C ATOM 5 C LIG 1 -1.036 0.448 -0.664 0.00 0.00 -0.037 A ATOM 6 C LIG 1 -0.834 -0.921 -0.921 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.276 -1.604 -0.418 0.00 0.00 +0.009 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -2.276 1.157 -1.221 0.00 0.00 +0.069 C ATOM 9 C LIG 1 -3.662 0.548 -0.862 0.00 0.00 +0.104 C ATOM 10 C LIG 1 -3.865 0.219 0.589 0.00 0.00 -0.007 A ATOM 11 C LIG 1 -4.350 -1.081 0.704 0.00 0.00 -0.013 A ATOM 12 C LIG 1 -4.633 -1.642 1.940 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -4.410 -0.864 3.073 0.00 0.00 +0.159 A ATOM 14 C LIG 1 -3.924 0.441 2.963 0.00 0.00 +0.159 A ATOM 15 F LIG 1 -3.725 1.177 4.066 0.00 0.00 -0.202 F ATOM 16 F LIG 1 -4.676 -1.381 4.281 0.00 0.00 -0.202 F ATOM 17 C LIG 1 -4.506 -1.675 -0.645 0.00 0.00 +0.196 C ATOM 18 C LIG 1 -3.649 0.999 1.716 0.00 0.00 +0.048 A ATOM 19 O LIG 1 -3.844 -0.744 -1.530 0.00 0.00 -0.363 OA ATOM 20 C LIG 1 -4.793 1.475 -1.376 0.00 0.00 +0.055 C ATOM 21 C LIG 1 -4.339 2.386 -2.522 0.00 0.00 +0.084 C ATOM 22 N LIG 1 -3.418 1.713 -3.432 0.00 0.00 -0.315 NA ATOM 23 H LIG 1 -3.865 0.855 -3.765 0.00 0.00 +0.122 HD ATOM 24 C LIG 1 -2.165 1.329 -2.755 0.00 0.00 +0.092 C ENDBRANCH 5 8 BRANCH 1 26 ATOM 25 C LIG 1 3.565 -1.901 0.141 0.00 0.00 -0.038 A ATOM 26 C LIG 1 2.396 -1.650 0.894 0.00 0.00 -0.015 A ATOM 27 C LIG 1 2.339 -2.102 2.226 0.00 0.00 +0.009 A ATOM 28 C LIG 1 3.406 -2.789 2.806 0.00 0.00 +0.001 A ATOM 29 C LIG 1 4.552 -3.038 2.062 0.00 0.00 +0.000 A ATOM 30 C LIG 1 4.632 -2.597 0.741 0.00 0.00 +0.004 A BRANCH 25 31 ATOM 31 C LIG 1 3.730 -1.431 -1.292 0.00 0.00 +0.054 C BRANCH 31 32 ATOM 32 C LIG 1 4.087 0.052 -1.444 0.00 0.00 +0.109 C BRANCH 32 35 ATOM 33 C LIG 1 6.769 1.386 0.885 0.00 0.00 +0.109 C ATOM 34 C LIG 1 5.387 1.218 0.312 0.00 0.00 +0.210 C ATOM 35 N LIG 1 5.339 0.400 -0.794 0.00 0.00 -0.315 N ATOM 36 H LIG 1 6.189 -0.027 -1.133 0.00 0.00 +0.149 HD ATOM 37 O LIG 1 4.416 1.792 0.791 0.00 0.00 -0.276 OA ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 25 31 ENDBRANCH 1 26 TORSDOF 5