REMARK Name = BDB007762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.217 1.540 -0.466 0.00 0.00 +0.246 C ATOM 2 N LIG 1 -1.334 1.292 0.301 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -1.283 0.617 1.058 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.078 2.553 -1.142 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.193 -0.052 -0.699 0.00 0.00 +0.140 A ATOM 6 C LIG 1 2.173 0.898 -0.722 0.00 0.00 +0.061 A ATOM 7 C LIG 1 0.859 0.524 -0.427 0.00 0.00 +0.058 A ATOM 8 C LIG 1 0.614 -0.811 -0.138 0.00 0.00 +0.124 A ATOM 9 N LIG 1 1.579 -1.761 -0.095 0.00 0.00 -0.259 NA ATOM 10 C LIG 1 2.845 -1.356 -0.371 0.00 0.00 +0.156 A BRANCH 5 11 ATOM 11 O LIG 1 4.438 0.426 -0.985 0.00 0.00 -0.487 OA BRANCH 11 15 ATOM 12 N LIG 1 8.430 -0.159 -0.625 0.00 0.00 -0.181 NA ATOM 13 C LIG 1 7.387 0.035 0.427 0.00 0.00 +0.112 C ATOM 14 C LIG 1 6.174 -0.847 0.166 0.00 0.00 +0.061 C ATOM 15 C LIG 1 5.512 -0.506 -1.175 0.00 0.00 +0.176 C ATOM 16 C LIG 1 6.498 0.162 -2.141 0.00 0.00 +0.061 C ATOM 17 C LIG 1 7.889 -0.429 -1.987 0.00 0.00 +0.112 C BRANCH 12 19 ATOM 18 C LIG 1 11.000 -0.652 -1.341 0.00 0.00 +0.215 C ATOM 19 S LIG 1 9.760 -1.113 -0.147 0.00 0.00 +0.029 S ATOM 20 O LIG 1 9.397 -2.498 -0.360 0.00 0.00 -0.158 OA ATOM 21 O LIG 1 10.204 -0.645 1.148 0.00 0.00 -0.158 OA ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 2 22 ATOM 22 C LIG 1 -2.356 2.309 0.488 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -3.678 1.703 0.971 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -3.423 0.849 2.100 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -4.208 0.262 2.143 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.383 0.883 -0.132 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -5.559 0.149 0.399 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -6.670 1.073 0.722 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -7.964 0.372 1.082 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -8.195 -0.961 0.701 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -9.413 -1.577 1.021 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -10.406 -0.865 1.692 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -10.189 0.462 2.054 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.111 -1.742 0.007 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -8.976 1.079 1.748 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.028 -0.837 -0.594 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 9