REMARK Name = BDB032842 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.664 1.193 -0.875 0.00 0.00 +0.253 C ATOM 2 N LIG 1 0.995 0.065 -0.165 0.00 0.00 -0.261 N ATOM 3 H LIG 1 0.279 -0.411 0.367 0.00 0.00 +0.157 HD ATOM 4 O LIG 1 1.440 1.856 -1.556 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 6 ATOM 5 C LIG 1 -1.784 0.970 -0.055 0.00 0.00 +0.133 A ATOM 6 C LIG 1 -0.778 1.630 -0.796 0.00 0.00 +0.079 A ATOM 7 C LIG 1 -1.115 2.787 -1.526 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.416 3.286 -1.527 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -3.402 2.635 -0.798 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -3.090 1.486 -0.067 0.00 0.00 +0.046 A BRANCH 5 11 ATOM 11 O LIG 1 -1.429 -0.155 0.648 0.00 0.00 -0.491 OA BRANCH 11 13 ATOM 12 C LIG 1 -1.793 -2.026 2.075 0.00 0.00 +0.048 C ATOM 13 C LIG 1 -2.440 -0.830 1.401 0.00 0.00 +0.226 C ENDBRANCH 11 13 ENDBRANCH 5 11 ENDBRANCH 1 6 BRANCH 2 14 ATOM 14 C LIG 1 2.253 -0.461 -0.132 0.00 0.00 +0.167 A ATOM 15 S LIG 1 2.383 -1.869 0.833 0.00 0.00 -0.028 S ATOM 16 C LIG 1 4.036 -1.943 0.438 0.00 0.00 +0.185 A ATOM 17 C LIG 1 4.389 -0.907 -0.393 0.00 0.00 +0.153 A ATOM 18 N LIG 1 3.351 -0.053 -0.718 0.00 0.00 -0.231 NA BRANCH 16 19 ATOM 19 N LIG 1 4.886 -2.974 0.939 0.00 0.00 +0.065 N ATOM 20 O LIG 1 6.072 -2.929 0.587 0.00 0.00 -0.126 OA ATOM 21 O LIG 1 4.390 -3.830 1.681 0.00 0.00 -0.126 OA ENDBRANCH 16 19 ENDBRANCH 2 14 TORSDOF 5