REMARK Name = BDB011811 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.985 0.445 -0.095 0.00 0.00 +0.177 C ATOM 2 C LIG 1 1.028 0.365 1.100 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.417 -0.082 2.186 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.271 0.826 0.899 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.732 1.265 -0.392 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.435 0.535 -1.587 0.00 0.00 +0.052 A ATOM 7 N LIG 1 0.211 -0.716 -1.533 0.00 0.00 -0.325 N ATOM 8 C LIG 1 -0.021 -1.734 -2.595 0.00 0.00 +0.124 C ATOM 9 C LIG 1 -1.504 -2.096 -2.852 0.00 0.00 +0.123 C ATOM 10 N LIG 1 -1.813 -3.526 -2.701 0.00 0.00 -0.310 N ATOM 11 H LIG 1 -1.715 -4.131 -3.506 0.00 0.00 +0.149 HD ATOM 12 C LIG 1 -2.393 -4.146 -1.614 0.00 0.00 +0.244 C ATOM 13 C LIG 1 -2.579 -3.325 -0.410 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -3.775 -2.630 -0.230 0.00 0.00 +0.021 A ATOM 15 C LIG 1 -3.795 -1.504 0.604 0.00 0.00 -0.017 A ATOM 16 C LIG 1 -2.602 -1.087 1.237 0.00 0.00 -0.010 A ATOM 17 C LIG 1 -2.547 0.224 1.790 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -3.730 0.977 1.939 0.00 0.00 +0.125 A ATOM 19 C LIG 1 -4.932 0.474 1.439 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -1.493 -1.962 1.211 0.00 0.00 +0.010 A ATOM 21 C LIG 1 -4.955 -0.734 0.741 0.00 0.00 +0.012 A ATOM 22 C LIG 1 -1.466 -3.068 0.375 0.00 0.00 +0.013 A ATOM 23 O LIG 1 -2.734 -5.320 -1.636 0.00 0.00 -0.270 OA ATOM 24 C LIG 1 -0.880 1.073 -2.808 0.00 0.00 +0.025 A ATOM 25 C LIG 1 -1.625 2.254 -2.862 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -1.948 2.927 -1.693 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -1.506 2.436 -0.467 0.00 0.00 +0.025 A ATOM 28 C LIG 1 -1.190 0.873 2.062 0.00 0.00 +0.153 C ATOM 29 C LIG 1 1.623 -0.654 -1.093 0.00 0.00 +0.137 C ENDROOT BRANCH 1 31 ATOM 30 C LIG 1 4.184 1.349 0.635 0.00 0.00 +0.230 C ATOM 31 N LIG 1 3.356 0.272 0.393 0.00 0.00 -0.301 N ATOM 32 H LIG 1 3.544 -0.533 0.986 0.00 0.00 +0.150 HD ATOM 33 O LIG 1 3.951 2.481 0.222 0.00 0.00 -0.274 OA BRANCH 30 34 ATOM 34 C LIG 1 5.395 1.001 1.534 0.00 0.00 +0.137 C ATOM 35 C LIG 1 6.476 2.077 1.479 0.00 0.00 +0.034 C BRANCH 34 37 ATOM 36 C LIG 1 6.551 -0.521 -0.021 0.00 0.00 +0.101 C ATOM 37 N LIG 1 5.892 -0.376 1.274 0.00 0.00 -0.309 NA ATOM 38 H LIG 1 6.566 -0.613 2.003 0.00 0.00 +0.122 HD ENDBRANCH 34 37 ENDBRANCH 30 34 ENDBRANCH 1 31 BRANCH 18 39 ATOM 39 O LIG 1 -3.600 2.196 2.552 0.00 0.00 -0.495 OA ATOM 40 C LIG 1 -4.783 2.953 2.772 0.00 0.00 +0.277 C ENDBRANCH 18 39 TORSDOF 4