REMARK Name = BDB005035 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.121 2.645 -0.559 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.084 2.186 -1.381 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.973 3.029 -1.762 0.00 0.00 -0.029 A ATOM 4 C LIG 1 0.980 4.351 -1.302 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.052 4.817 -0.490 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.098 3.968 -0.119 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.261 1.926 0.532 0.00 0.00 +0.250 C ATOM 8 N LIG 1 -2.116 1.713 -0.210 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -2.009 0.783 -0.592 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -3.673 3.011 0.926 0.00 0.00 -0.270 OA BRANCH 7 18 ATOM 11 C LIG 1 -7.170 -1.072 1.154 0.00 0.00 +0.149 C ATOM 12 N LIG 1 -5.795 -0.637 1.040 0.00 0.00 -0.349 N ATOM 13 C LIG 1 -4.694 -1.460 1.137 0.00 0.00 +0.050 A ATOM 14 C LIG 1 -3.562 -0.646 0.999 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -2.289 -1.250 1.123 0.00 0.00 +0.011 A ATOM 16 C LIG 1 -2.186 -2.629 1.339 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -3.328 -3.414 1.443 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -4.022 0.697 0.771 0.00 0.00 +0.062 A ATOM 19 C LIG 1 -4.600 -2.845 1.349 0.00 0.00 +0.026 A ATOM 20 C LIG 1 -5.404 0.657 0.841 0.00 0.00 +0.099 A ENDBRANCH 7 18 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 2.107 2.500 -2.611 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 3.144 1.912 -1.767 0.00 0.00 -0.324 N ATOM 23 H LIG 1 3.183 2.390 -0.871 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 3.098 0.521 -1.545 0.00 0.00 +0.130 A ATOM 25 C LIG 1 4.051 -0.076 -0.690 0.00 0.00 +0.041 A ATOM 26 C LIG 1 3.950 -1.469 -0.501 0.00 0.00 +0.088 A ATOM 27 C LIG 1 4.878 -2.081 0.367 0.00 0.00 +0.063 A ATOM 28 C LIG 1 5.883 -1.333 1.012 0.00 0.00 +0.015 A ATOM 29 C LIG 1 5.987 0.033 0.805 0.00 0.00 +0.002 A ATOM 30 N LIG 1 2.993 -2.176 -1.143 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 2.169 -1.516 -1.963 0.00 0.00 +0.223 A ATOM 32 C LIG 1 5.080 0.655 -0.041 0.00 0.00 +0.013 A ATOM 33 N LIG 1 2.174 -0.205 -2.193 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 4.879 -3.548 0.667 0.00 0.00 +0.244 C ATOM 35 O LIG 1 5.721 -4.053 1.403 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 3.915 -4.329 0.104 0.00 0.00 -0.325 N ATOM 37 H LIG 1 3.942 -5.326 0.260 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 3.249 -3.937 -0.556 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 6