REMARK Name = BDB059500 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.799 -0.217 1.680 0.00 0.00 +0.247 C ATOM 2 N LIG 1 4.669 0.406 1.148 0.00 0.00 -0.293 N ATOM 3 C LIG 1 3.547 0.584 2.076 0.00 0.00 +0.144 C ATOM 4 C LIG 1 2.286 0.900 1.323 0.00 0.00 -0.019 A ATOM 5 C LIG 1 2.274 1.230 -0.016 0.00 0.00 -0.003 A ATOM 6 S LIG 1 0.722 1.563 -0.608 0.00 0.00 -0.088 S ATOM 7 C LIG 1 -0.002 1.266 0.924 0.00 0.00 +0.074 A ATOM 8 C LIG 1 3.495 1.274 -0.876 0.00 0.00 +0.062 C ATOM 9 C LIG 1 0.960 0.928 1.865 0.00 0.00 +0.026 A ATOM 10 C LIG 1 4.739 1.357 0.020 0.00 0.00 +0.113 C ATOM 11 O LIG 1 5.888 -0.557 2.857 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 15 ATOM 12 C LIG 1 9.115 -1.134 -0.864 0.00 0.00 +0.120 A ATOM 13 C LIG 1 9.309 -0.469 0.351 0.00 0.00 +0.046 A ATOM 14 C LIG 1 8.227 -0.168 1.181 0.00 0.00 +0.016 A ATOM 15 C LIG 1 6.937 -0.519 0.783 0.00 0.00 +0.037 A ATOM 16 C LIG 1 6.734 -1.206 -0.420 0.00 0.00 +0.016 A ATOM 17 C LIG 1 7.823 -1.506 -1.245 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 10.126 -2.073 -2.802 0.00 0.00 +0.277 C ATOM 19 O LIG 1 10.260 -1.364 -1.576 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 1 15 BRANCH 7 20 ATOM 20 C LIG 1 -1.449 1.401 1.053 0.00 0.00 +0.251 C ATOM 21 N LIG 1 -1.982 0.868 2.211 0.00 0.00 -0.308 N ATOM 22 H LIG 1 -1.387 0.377 2.862 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -2.170 1.922 0.205 0.00 0.00 -0.270 OA BRANCH 21 24 ATOM 24 C LIG 1 -3.407 0.900 2.520 0.00 0.00 +0.137 C BRANCH 24 25 ATOM 25 C LIG 1 -4.152 -0.378 2.089 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 O LIG 1 -3.344 -1.525 2.402 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -2.569 -1.478 1.813 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -4.542 -0.402 0.594 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -5.518 0.634 0.218 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -5.530 0.865 -1.239 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -6.581 0.078 -1.984 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -7.873 0.032 -1.432 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -8.909 -0.604 -2.116 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -8.652 -1.212 -3.345 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.369 -1.174 -3.894 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.060 0.707 -0.100 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -6.334 -0.524 -3.220 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -6.854 0.373 0.798 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 7 20 TORSDOF 8