REMARK Name = BDB043834 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.428 3.069 -0.970 0.00 0.00 +0.165 C ATOM 2 N LIG 1 -1.644 1.937 -0.067 0.00 0.00 -0.283 N ATOM 3 C LIG 1 -2.060 0.707 -0.526 0.00 0.00 +0.248 C ATOM 4 O LIG 1 -2.210 0.452 -1.718 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -1.421 2.320 1.323 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -0.883 3.751 1.260 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -1.473 4.282 -0.045 0.00 0.00 +0.065 C ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -2.288 -0.352 0.475 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -3.535 -0.505 1.117 0.00 0.00 -0.018 A ATOM 10 C LIG 1 -4.699 0.387 0.774 0.00 0.00 +0.046 C ATOM 11 C LIG 1 -3.652 -1.488 2.118 0.00 0.00 +0.028 A ATOM 12 C LIG 1 -2.583 -2.370 2.343 0.00 0.00 +0.023 A ATOM 13 C LIG 1 -1.367 -2.224 1.675 0.00 0.00 +0.003 A ATOM 14 C LIG 1 -1.213 -1.205 0.745 0.00 0.00 +0.013 A BRANCH 11 15 ATOM 15 N LIG 1 -4.877 -1.751 2.753 0.00 0.00 -0.358 N ATOM 16 H LIG 1 -4.786 -2.255 3.630 0.00 0.00 +0.142 HD ATOM 17 H LIG 1 -5.484 -0.944 2.842 0.00 0.00 +0.142 HD ENDBRANCH 11 15 ENDBRANCH 3 8 BRANCH 1 20 ATOM 18 N LIG 1 -0.034 1.917 -2.618 0.00 0.00 -0.310 N ATOM 19 H LIG 1 -0.815 1.258 -2.599 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 -0.062 2.925 -1.677 0.00 0.00 +0.234 C ATOM 21 O LIG 1 0.907 3.635 -1.418 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 1.197 1.458 -3.209 0.00 0.00 +0.139 C BRANCH 22 26 ATOM 23 C LIG 1 2.846 -1.795 -0.874 0.00 0.00 -0.010 A ATOM 24 C LIG 1 1.952 -2.052 -1.922 0.00 0.00 +0.009 A ATOM 25 C LIG 1 1.421 -1.003 -2.678 0.00 0.00 +0.006 A ATOM 26 C LIG 1 1.783 0.323 -2.408 0.00 0.00 -0.030 A ATOM 27 C LIG 1 2.662 0.582 -1.348 0.00 0.00 +0.006 A ATOM 28 C LIG 1 3.191 -0.468 -0.592 0.00 0.00 +0.009 A BRANCH 23 31 ATOM 29 C LIG 1 5.956 -2.550 -0.422 0.00 0.00 +0.067 C ATOM 30 C LIG 1 4.753 -3.227 0.132 0.00 0.00 +0.053 A ATOM 31 C LIG 1 3.424 -2.888 -0.091 0.00 0.00 +0.042 A ATOM 32 S LIG 1 2.404 -3.984 0.755 0.00 0.00 -0.075 S ATOM 33 C LIG 1 3.787 -4.802 1.341 0.00 0.00 +0.156 A ATOM 34 N LIG 1 4.949 -4.325 0.959 0.00 0.00 -0.252 NA ENDBRANCH 23 31 ENDBRANCH 22 26 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 6 35 ATOM 35 O LIG 1 -1.318 4.527 2.364 0.00 0.00 -0.390 OA ATOM 36 H LIG 1 -0.940 5.418 2.254 0.00 0.00 +0.210 HD ENDBRANCH 6 35 TORSDOF 7