REMARK Name = BDB048100 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.106 -4.314 0.664 0.00 0.00 +0.044 C ATOM 2 C LIG 1 2.985 -3.121 0.387 0.00 0.00 -0.043 A ATOM 3 C LIG 1 2.446 -1.822 0.234 0.00 0.00 -0.014 A ATOM 4 C LIG 1 3.323 -0.754 -0.033 0.00 0.00 +0.021 A ATOM 5 C LIG 1 4.705 -0.957 -0.125 0.00 0.00 +0.038 A ATOM 6 C LIG 1 5.230 -2.242 0.025 0.00 0.00 +0.013 A ATOM 7 C LIG 1 4.374 -3.314 0.286 0.00 0.00 +0.005 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.006 -1.548 0.337 0.00 0.00 -0.017 A ATOM 9 C LIG 1 0.249 -1.246 -0.802 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -1.132 -0.977 -0.695 0.00 0.00 +0.019 A ATOM 11 C LIG 1 -1.782 -1.004 0.539 0.00 0.00 +0.076 A ATOM 12 N LIG 1 -3.092 -0.757 0.666 0.00 0.00 -0.215 NA ATOM 13 C LIG 1 -3.790 -0.474 -0.441 0.00 0.00 +0.216 A ATOM 14 N LIG 1 -3.260 -0.409 -1.669 0.00 0.00 -0.222 NA ATOM 15 C LIG 1 -1.020 -1.297 1.662 0.00 0.00 +0.029 A ATOM 16 C LIG 1 -1.943 -0.668 -1.772 0.00 0.00 +0.124 A ATOM 17 C LIG 1 0.353 -1.563 1.574 0.00 0.00 +0.010 A BRANCH 13 18 ATOM 18 N LIG 1 -5.137 -0.236 -0.258 0.00 0.00 -0.312 N ATOM 19 H LIG 1 -5.316 -0.107 0.732 0.00 0.00 +0.149 HD BRANCH 18 20 ATOM 20 C LIG 1 -5.730 0.765 -1.129 0.00 0.00 +0.119 C BRANCH 20 21 ATOM 21 C LIG 1 -6.964 1.424 -0.459 0.00 0.00 +0.103 C BRANCH 21 22 ATOM 22 N LIG 1 -7.870 0.509 0.260 0.00 0.00 -0.297 NA ATOM 23 C LIG 1 -8.864 1.269 1.049 0.00 0.00 +0.112 C ATOM 24 C LIG 1 -10.114 0.431 1.355 0.00 0.00 +0.175 C ATOM 25 O LIG 1 -10.833 0.068 0.168 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 -9.983 -0.088 -0.978 0.00 0.00 +0.175 C ATOM 27 C LIG 1 -8.538 -0.472 -0.621 0.00 0.00 +0.112 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 13 18 ENDBRANCH 3 8 BRANCH 5 28 ATOM 28 C LIG 1 5.577 0.216 -0.410 0.00 0.00 +0.248 C ATOM 29 N LIG 1 6.786 0.215 0.260 0.00 0.00 -0.281 N ATOM 30 H LIG 1 6.923 -0.508 0.955 0.00 0.00 +0.155 HD ATOM 31 O LIG 1 5.154 1.082 -1.165 0.00 0.00 -0.270 OA BRANCH 29 32 ATOM 32 C LIG 1 7.819 1.171 0.162 0.00 0.00 +0.034 A ATOM 33 C LIG 1 7.810 2.240 -0.738 0.00 0.00 +0.035 A ATOM 34 C LIG 1 8.880 3.154 -0.788 0.00 0.00 +0.057 A ATOM 35 C LIG 1 9.960 2.987 0.088 0.00 0.00 +0.012 A ATOM 36 C LIG 1 9.979 1.921 0.985 0.00 0.00 +0.002 A ATOM 37 C LIG 1 8.915 1.017 1.018 0.00 0.00 +0.023 A BRANCH 34 38 ATOM 38 C LIG 1 8.837 4.310 -1.757 0.00 0.00 +0.417 C ATOM 39 F LIG 1 10.053 4.898 -1.943 0.00 0.00 -0.166 F ATOM 40 F LIG 1 8.411 3.949 -3.000 0.00 0.00 -0.166 F ATOM 41 F LIG 1 8.004 5.305 -1.345 0.00 0.00 -0.166 F ENDBRANCH 34 38 ENDBRANCH 29 32 ENDBRANCH 5 28 TORSDOF 8