REMARK Name = BDB049773 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.334 0.280 -0.733 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.011 -0.703 0.197 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.133 -1.510 -0.001 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.942 -1.341 -1.134 0.00 0.00 -0.041 A ATOM 5 C LIG 1 -1.584 -0.357 -2.067 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.458 0.450 -1.867 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.453 0.997 -0.414 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 1.913 1.954 -1.369 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 3.192 2.614 -0.851 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 4.915 1.167 -3.378 0.00 0.00 +0.088 C ATOM 11 C LIG 1 5.053 1.141 -1.913 0.00 0.00 +0.126 A ATOM 12 C LIG 1 4.373 1.706 -0.854 0.00 0.00 +0.086 A ATOM 13 N LIG 1 4.980 1.336 0.326 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 5.972 0.549 -0.045 0.00 0.00 +0.228 A ATOM 15 O LIG 1 6.075 0.391 -1.403 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 6.952 -0.153 0.779 0.00 0.00 +0.037 A ATOM 17 C LIG 1 6.889 -0.039 2.177 0.00 0.00 +0.013 A ATOM 18 C LIG 1 7.812 -0.698 2.993 0.00 0.00 +0.001 A ATOM 19 C LIG 1 8.812 -1.481 2.420 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.889 -1.606 1.035 0.00 0.00 +0.001 A ATOM 21 C LIG 1 7.965 -0.947 0.219 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -3.153 -2.215 -1.366 0.00 0.00 +0.095 C BRANCH 22 23 ATOM 23 C LIG 1 -4.139 -1.880 -0.302 0.00 0.00 +0.102 A ATOM 24 C LIG 1 -4.986 -0.788 -0.138 0.00 0.00 +0.174 A ATOM 25 N LIG 1 -5.652 -1.057 1.050 0.00 0.00 -0.206 N ATOM 26 N LIG 1 -5.126 -2.180 1.611 0.00 0.00 -0.060 NA ATOM 27 N LIG 1 -4.262 -2.716 0.771 0.00 0.00 -0.133 NA BRANCH 25 28 ATOM 28 C LIG 1 -6.765 -0.430 1.685 0.00 0.00 +0.068 A ATOM 29 C LIG 1 -7.627 0.438 1.003 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -8.715 1.016 1.666 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -8.961 0.726 3.006 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -8.125 -0.153 3.688 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -7.037 -0.734 3.031 0.00 0.00 +0.028 A ENDBRANCH 25 28 BRANCH 24 34 ATOM 34 C LIG 1 -5.090 0.389 -0.930 0.00 0.00 +0.357 C ATOM 35 O LIG 1 -5.341 1.529 -0.574 0.00 0.00 -0.243 OA BRANCH 34 36 ATOM 36 O LIG 1 -4.886 0.132 -2.239 0.00 0.00 -0.476 OA ATOM 37 H LIG 1 -4.980 1.016 -2.652 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 10