REMARK Name = BDB052269 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.870 2.467 -0.028 0.00 0.00 +0.046 C ATOM 2 C LIG 1 5.401 2.301 -0.325 0.00 0.00 -0.027 A ATOM 3 C LIG 1 4.835 1.042 -0.635 0.00 0.00 +0.037 A ATOM 4 C LIG 1 3.459 0.946 -0.899 0.00 0.00 +0.035 A ATOM 5 C LIG 1 2.643 2.097 -0.854 0.00 0.00 +0.029 A ATOM 6 C LIG 1 3.231 3.314 -0.547 0.00 0.00 +0.067 A ATOM 7 N LIG 1 2.211 4.223 -0.581 0.00 0.00 -0.276 N ATOM 8 H LIG 1 2.267 5.220 -0.408 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 1.013 3.701 -0.883 0.00 0.00 -0.173 NA ATOM 10 C LIG 1 1.259 2.393 -1.054 0.00 0.00 +0.093 A ATOM 11 C LIG 1 4.594 3.457 -0.279 0.00 0.00 +0.033 A ENDROOT BRANCH 3 12 ATOM 12 N LIG 1 5.686 -0.089 -0.676 0.00 0.00 -0.285 N ATOM 13 H LIG 1 6.662 0.077 -0.465 0.00 0.00 +0.155 HD ATOM 14 C LIG 1 5.344 -1.417 -0.886 0.00 0.00 +0.222 C ATOM 15 O LIG 1 4.215 -1.860 -1.082 0.00 0.00 -0.275 OA BRANCH 14 16 ATOM 16 C LIG 1 6.550 -2.347 -0.904 0.00 0.00 +0.138 C BRANCH 16 17 ATOM 17 C LIG 1 7.244 -2.334 0.426 0.00 0.00 -0.001 A ATOM 18 S LIG 1 8.732 -1.505 0.616 0.00 0.00 -0.101 S ATOM 19 C LIG 1 8.832 -1.935 2.268 0.00 0.00 +0.045 A ATOM 20 C LIG 1 7.758 -2.696 2.669 0.00 0.00 +0.008 A ATOM 21 C LIG 1 6.841 -2.930 1.605 0.00 0.00 +0.011 A ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 3 12 BRANCH 10 22 ATOM 22 C LIG 1 0.257 1.422 -1.393 0.00 0.00 +0.031 C ATOM 23 C LIG 1 -1.038 1.705 -1.615 0.00 0.00 +0.010 C BRANCH 23 24 ATOM 24 C LIG 1 -2.060 0.704 -1.949 0.00 0.00 -0.025 A ATOM 25 C LIG 1 -3.354 0.863 -1.432 0.00 0.00 +0.012 A ATOM 26 C LIG 1 -4.374 -0.053 -1.736 0.00 0.00 -0.033 A ATOM 27 C LIG 1 -4.086 -1.131 -2.584 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -2.808 -1.289 -3.118 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -1.802 -0.373 -2.806 0.00 0.00 +0.008 A BRANCH 26 30 ATOM 30 C LIG 1 -5.766 0.126 -1.167 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 -6.208 -1.004 -0.336 0.00 0.00 -0.296 NA ATOM 32 C LIG 1 -7.632 -0.878 0.041 0.00 0.00 +0.100 C ATOM 33 C LIG 1 -7.861 -0.329 1.466 0.00 0.00 +0.099 C ATOM 34 N LIG 1 -7.276 -1.190 2.514 0.00 0.00 -0.303 NA ATOM 35 C LIG 1 -7.014 -0.421 3.727 0.00 0.00 +0.105 C ATOM 36 C LIG 1 -6.066 -1.885 2.028 0.00 0.00 +0.099 C ATOM 37 C LIG 1 -5.352 -1.167 0.861 0.00 0.00 +0.100 C ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 23 24 ENDBRANCH 10 22 TORSDOF 7