REMARK Name = BDB018763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 6.166 1.233 1.329 0.00 0.00 -0.268 N ATOM 2 C LIG 1 5.600 0.162 2.201 0.00 0.00 +0.132 C ATOM 3 C LIG 1 4.608 -0.587 1.306 0.00 0.00 +0.069 C ATOM 4 C LIG 1 4.434 -2.030 1.757 0.00 0.00 +0.225 C ATOM 5 O LIG 1 5.236 -2.617 2.478 0.00 0.00 -0.275 OA ATOM 6 N LIG 1 3.368 -2.707 1.221 0.00 0.00 -0.285 N ATOM 7 H LIG 1 3.337 -3.701 1.409 0.00 0.00 +0.155 HD ATOM 8 C LIG 1 2.307 -2.092 0.550 0.00 0.00 +0.037 A ATOM 9 C LIG 1 2.222 -0.699 0.521 0.00 0.00 -0.025 A ATOM 10 C LIG 1 1.140 -0.089 -0.129 0.00 0.00 +0.014 A ATOM 11 C LIG 1 0.147 -0.856 -0.764 0.00 0.00 -0.017 A ATOM 12 C LIG 1 0.260 -2.256 -0.714 0.00 0.00 +0.010 A ATOM 13 C LIG 1 1.327 -2.873 -0.055 0.00 0.00 +0.024 A ATOM 14 C LIG 1 3.243 0.119 1.269 0.00 0.00 +0.054 C ATOM 15 C LIG 1 5.335 -0.542 -0.046 0.00 0.00 +0.037 C ATOM 16 C LIG 1 5.969 0.843 -0.091 0.00 0.00 +0.117 C ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.986 -0.212 -1.450 0.00 0.00 -0.016 A ATOM 18 C LIG 1 -1.775 0.747 -0.795 0.00 0.00 +0.037 A ATOM 19 C LIG 1 -2.859 1.344 -1.451 0.00 0.00 +0.106 A ATOM 20 C LIG 1 -3.145 1.033 -2.781 0.00 0.00 +0.028 A ATOM 21 C LIG 1 -2.370 0.085 -3.443 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -1.306 -0.535 -2.780 0.00 0.00 +0.008 A BRANCH 19 23 ATOM 23 S LIG 1 -3.829 2.573 -0.601 0.00 0.00 +0.061 S ATOM 24 O LIG 1 -4.455 3.402 -1.608 0.00 0.00 -0.153 OA ATOM 25 O LIG 1 -2.988 3.148 0.428 0.00 0.00 -0.153 OA BRANCH 23 26 ATOM 26 N LIG 1 -5.039 1.667 0.155 0.00 0.00 -0.172 NA ATOM 27 C LIG 1 -6.118 1.108 -0.705 0.00 0.00 +0.137 C ATOM 28 C LIG 1 -7.029 0.200 0.127 0.00 0.00 +0.177 C ATOM 29 O LIG 1 -6.339 -0.935 0.670 0.00 0.00 -0.377 OA ATOM 30 C LIG 1 -4.961 -0.678 0.975 0.00 0.00 +0.177 C ATOM 31 C LIG 1 -4.667 0.790 1.299 0.00 0.00 +0.137 C ENDBRANCH 23 26 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 33 ATOM 32 N LIG 1 7.831 2.928 2.094 0.00 0.00 -0.174 NA ATOM 33 C LIG 1 7.058 2.142 1.741 0.00 0.00 +0.169 C ENDBRANCH 1 33 TORSDOF 4