REMARK Name = BDB010776 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.890 -0.744 0.566 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.551 -0.889 0.930 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.086 -2.111 1.387 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.225 -2.057 1.742 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -1.603 -0.813 1.526 0.00 0.00 +0.140 A ATOM 6 N LIG 1 0.838 -3.217 1.503 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 2.114 -2.988 1.145 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.558 -0.066 1.001 0.00 0.00 -0.315 N ATOM 9 N LIG 1 2.660 -1.837 0.706 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.852 -0.211 1.887 0.00 0.00 -0.001 C ATOM 11 C LIG 1 -3.032 0.321 3.303 0.00 0.00 +0.039 C ATOM 12 C LIG 1 -4.481 0.533 3.727 0.00 0.00 +0.005 C ATOM 13 C LIG 1 -5.247 1.245 2.628 0.00 0.00 +0.005 C ATOM 14 C LIG 1 -5.235 0.417 1.345 0.00 0.00 +0.036 C ATOM 15 C LIG 1 -3.883 -0.189 1.002 0.00 0.00 -0.034 C BRANCH 15 16 ATOM 16 C LIG 1 -3.831 -0.763 -0.367 0.00 0.00 -0.021 A ATOM 17 C LIG 1 -4.048 0.048 -1.490 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -4.035 -0.497 -2.777 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -3.802 -1.859 -2.956 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -3.591 -2.677 -1.849 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -3.613 -2.134 -0.562 0.00 0.00 +0.008 A ENDBRANCH 15 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 2.418 0.449 0.101 0.00 0.00 -0.324 N ATOM 23 H LIG 1 1.794 0.887 -0.568 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 4.122 -0.292 -1.554 0.00 0.00 +0.028 C ATOM 25 C LIG 1 3.820 0.568 -0.330 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 4.824 0.425 0.821 0.00 0.00 +0.009 C ATOM 27 C LIG 1 5.497 -0.926 1.211 0.00 0.00 +0.005 C ATOM 28 C LIG 1 6.763 -0.114 1.553 0.00 0.00 +0.001 C ATOM 29 C LIG 1 6.267 0.946 0.550 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 3.014 -4.190 1.256 0.00 0.00 +0.375 C ATOM 31 O LIG 1 4.199 -4.231 0.972 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 2.325 -5.270 1.724 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 1.384 -5.023 1.888 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 -0.581 1.363 0.708 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 C LIG 1 -0.494 1.722 -0.762 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -0.183 3.049 -1.100 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -0.087 3.449 -2.435 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.313 2.533 -3.471 0.00 0.00 +0.055 A ATOM 39 C LIG 1 -0.621 1.209 -3.139 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -0.717 0.810 -1.802 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -0.196 2.966 -4.912 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -0.716 4.206 -5.133 0.00 0.00 -0.166 F ATOM 43 F LIG 1 1.097 3.022 -5.331 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -0.838 2.135 -5.780 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 10