REMARK Name = BDB056106 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.094 2.041 -0.263 0.00 0.00 -0.328 N ATOM 2 H LIG 1 -2.875 1.895 -0.897 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.398 1.641 1.037 0.00 0.00 +0.133 A ATOM 4 C LIG 1 -3.364 0.657 1.315 0.00 0.00 +0.088 A ATOM 5 C LIG 1 -3.581 0.364 2.652 0.00 0.00 +0.233 A ATOM 6 O LIG 1 -4.551 -0.579 2.773 0.00 0.00 -0.436 OA ATOM 7 C LIG 1 -4.966 -0.924 1.517 0.00 0.00 +0.146 A ATOM 8 N LIG 1 -2.965 0.898 3.713 0.00 0.00 -0.200 NA ATOM 9 C LIG 1 -2.055 1.801 3.339 0.00 0.00 +0.227 A ATOM 10 C LIG 1 -4.260 -0.181 0.578 0.00 0.00 +0.041 A ATOM 11 N LIG 1 -1.746 2.193 2.089 0.00 0.00 -0.220 NA BRANCH 7 12 ATOM 12 C LIG 1 -5.998 -1.959 1.482 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -6.967 -2.029 2.496 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -7.963 -3.008 2.472 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -8.004 -3.935 1.434 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.046 -3.886 0.424 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.049 -2.906 0.449 0.00 0.00 +0.011 A ENDBRANCH 7 12 BRANCH 10 18 ATOM 18 C LIG 1 -4.456 -0.268 -0.856 0.00 0.00 -0.014 A ATOM 19 C LIG 1 -5.680 0.097 -1.429 0.00 0.00 +0.008 A ATOM 20 C LIG 1 -5.856 0.024 -2.812 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -4.810 -0.408 -3.627 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.587 -0.768 -3.063 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -3.409 -0.699 -1.680 0.00 0.00 +0.008 A ENDBRANCH 10 18 ENDBRANCH 1 3 BRANCH 1 24 ATOM 24 C LIG 1 -1.402 3.309 -0.442 0.00 0.00 +0.103 C BRANCH 24 25 ATOM 25 C LIG 1 0.116 3.153 -0.336 0.00 0.00 +0.023 C BRANCH 25 26 ATOM 26 C LIG 1 0.679 2.203 -1.397 0.00 0.00 +0.036 C BRANCH 26 30 ATOM 27 C LIG 1 4.998 1.977 -1.189 0.00 0.00 +0.035 A ATOM 28 C LIG 1 4.373 2.812 -2.121 0.00 0.00 +0.023 A ATOM 29 C LIG 1 2.979 2.880 -2.199 0.00 0.00 +0.005 A ATOM 30 C LIG 1 2.185 2.123 -1.333 0.00 0.00 -0.047 A ATOM 31 C LIG 1 2.810 1.317 -0.375 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.206 1.250 -0.299 0.00 0.00 +0.023 A BRANCH 27 35 ATOM 33 O LIG 1 8.466 1.552 -0.440 0.00 0.00 -0.252 OA ATOM 34 C LIG 1 7.317 1.140 -0.584 0.00 0.00 +0.308 C ATOM 35 N LIG 1 6.405 1.977 -1.173 0.00 0.00 -0.269 N ATOM 36 H LIG 1 6.863 2.773 -1.600 0.00 0.00 +0.156 HD ATOM 37 N LIG 1 6.874 -0.120 -0.289 0.00 0.00 -0.269 N ATOM 38 H LIG 1 6.047 -0.400 -0.794 0.00 0.00 +0.156 HD BRANCH 37 39 ATOM 39 C LIG 1 7.559 -1.136 0.405 0.00 0.00 +0.035 A ATOM 40 C LIG 1 8.747 -0.928 1.109 0.00 0.00 +0.023 A ATOM 41 C LIG 1 9.361 -1.986 1.787 0.00 0.00 +0.002 A ATOM 42 C LIG 1 8.789 -3.256 1.772 0.00 0.00 +0.000 A ATOM 43 C LIG 1 7.600 -3.471 1.081 0.00 0.00 +0.002 A ATOM 44 C LIG 1 6.987 -2.414 0.402 0.00 0.00 +0.023 A ENDBRANCH 37 39 ENDBRANCH 27 35 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9