REMARK Name = BDB037226 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.102 -1.292 -1.076 0.00 0.00 -0.180 N ATOM 2 H LIG 1 -0.649 -1.962 -0.457 0.00 0.00 +0.177 HD ATOM 3 C LIG 1 -0.270 -0.458 -1.835 0.00 0.00 +0.281 C ATOM 4 O LIG 1 -0.648 0.519 -2.460 0.00 0.00 -0.267 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 1.166 -0.875 -1.779 0.00 0.00 +0.131 A ATOM 6 N LIG 1 1.444 -1.977 -1.024 0.00 0.00 -0.208 NA ATOM 7 C LIG 1 2.740 -2.353 -0.957 0.00 0.00 +0.220 A ATOM 8 C LIG 1 3.778 -1.688 -1.607 0.00 0.00 +0.035 A ATOM 9 C LIG 1 3.451 -0.551 -2.361 0.00 0.00 +0.013 A ATOM 10 C LIG 1 2.126 -0.137 -2.455 0.00 0.00 +0.033 A BRANCH 7 11 ATOM 11 O LIG 1 3.075 -3.464 -0.209 0.00 0.00 -0.479 OA ATOM 12 C LIG 1 1.957 -4.112 0.390 0.00 0.00 +0.279 C ENDBRANCH 7 11 BRANCH 8 13 ATOM 13 C LIG 1 5.208 -2.136 -1.484 0.00 0.00 +0.184 C BRANCH 13 14 ATOM 14 N LIG 1 5.868 -1.492 -0.358 0.00 0.00 -0.267 N ATOM 15 N LIG 1 6.466 -0.292 -0.522 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.981 -0.028 0.681 0.00 0.00 +0.134 A ATOM 17 C LIG 1 6.727 -1.054 1.609 0.00 0.00 +0.041 A ATOM 18 C LIG 1 6.011 -1.993 0.905 0.00 0.00 +0.108 A ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 3 5 BRANCH 1 19 ATOM 19 S LIG 1 -2.701 -1.019 -0.752 0.00 0.00 +0.082 S ATOM 20 O LIG 1 -3.044 -1.902 0.349 0.00 0.00 -0.150 OA ATOM 21 O LIG 1 -3.407 -1.131 -2.010 0.00 0.00 -0.150 OA BRANCH 19 23 ATOM 22 C LIG 1 -1.867 1.020 0.876 0.00 0.00 +0.151 A ATOM 23 C LIG 1 -2.783 0.631 -0.111 0.00 0.00 +0.192 A ATOM 24 C LIG 1 -3.749 1.547 -0.556 0.00 0.00 +0.153 A ATOM 25 C LIG 1 -3.732 2.890 -0.111 0.00 0.00 -0.004 A ATOM 26 C LIG 1 -2.784 3.261 0.852 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -1.861 2.336 1.341 0.00 0.00 +0.048 A BRANCH 24 28 ATOM 28 O LIG 1 -4.707 1.206 -1.477 0.00 0.00 -0.493 OA ATOM 29 C LIG 1 -5.837 0.600 -0.846 0.00 0.00 +0.277 C ENDBRANCH 24 28 BRANCH 25 30 ATOM 30 C LIG 1 -4.741 3.877 -0.670 0.00 0.00 +0.035 C ATOM 31 C LIG 1 -4.481 5.357 -0.408 0.00 0.00 +0.009 C ENDBRANCH 25 30 BRANCH 22 32 ATOM 32 O LIG 1 -0.920 0.137 1.327 0.00 0.00 -0.490 OA BRANCH 32 34 ATOM 33 C LIG 1 -0.257 -1.363 3.053 0.00 0.00 +0.048 C ATOM 34 C LIG 1 -0.985 -0.068 2.743 0.00 0.00 +0.226 C ENDBRANCH 32 34 ENDBRANCH 22 32 ENDBRANCH 19 23 ENDBRANCH 1 19 TORSDOF 10