REMARK Name = BDB030610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.106 0.266 -1.530 0.00 0.00 +0.266 C ATOM 2 N LIG 1 -0.765 -0.083 -1.471 0.00 0.00 -0.296 N ATOM 3 C LIG 1 -0.075 -0.707 -0.349 0.00 0.00 +0.112 C ATOM 4 C LIG 1 1.340 -0.846 -0.810 0.00 0.00 +0.022 C ATOM 5 C LIG 1 2.186 0.373 -1.121 0.00 0.00 +0.066 C ATOM 6 C LIG 1 1.430 -0.358 -2.212 0.00 0.00 +0.022 C ATOM 7 C LIG 1 0.075 0.089 -2.646 0.00 0.00 +0.112 C ATOM 8 O LIG 1 -2.583 0.761 -2.554 0.00 0.00 -0.268 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 3.648 0.280 -1.036 0.00 0.00 +0.143 C ATOM 10 N LIG 1 4.290 0.318 0.162 0.00 0.00 -0.280 N ATOM 11 C LIG 1 3.712 0.031 1.446 0.00 0.00 +0.134 C ATOM 12 C LIG 1 5.683 0.058 -0.146 0.00 0.00 +0.201 C ATOM 13 C LIG 1 6.148 -1.318 0.320 0.00 0.00 +0.081 C ATOM 14 C LIG 1 6.575 1.176 0.376 0.00 0.00 +0.081 C ATOM 15 O LIG 1 5.741 0.073 -1.596 0.00 0.00 -0.367 OA ATOM 16 N LIG 1 4.396 0.162 -2.092 0.00 0.00 -0.071 NA ENDBRANCH 5 9 BRANCH 1 19 ATOM 17 N LIG 1 -4.716 -0.019 0.970 0.00 0.00 -0.334 N ATOM 18 C LIG 1 -4.305 0.350 -0.279 0.00 0.00 +0.120 A ATOM 19 C LIG 1 -2.958 0.037 -0.348 0.00 0.00 +0.143 A ATOM 20 N LIG 1 -2.561 -0.520 0.859 0.00 0.00 -0.231 NA ATOM 21 C LIG 1 -3.633 -0.538 1.619 0.00 0.00 +0.200 A BRANCH 17 23 ATOM 22 C LIG 1 -7.071 -0.730 0.745 0.00 0.00 +0.030 C ATOM 23 C LIG 1 -6.057 0.107 1.525 0.00 0.00 +0.082 C ATOM 24 C LIG 1 -6.494 1.569 1.616 0.00 0.00 +0.030 C ENDBRANCH 17 23 ENDBRANCH 1 19 TORSDOF 3