REMARK Name = BDB046799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.962 1.208 -1.076 0.00 0.00 +0.092 A ATOM 2 C LIG 1 -0.506 0.634 0.143 0.00 0.00 +0.153 A ATOM 3 C LIG 1 -1.008 -0.590 0.608 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -1.919 -1.233 -0.201 0.00 0.00 +0.073 A ATOM 5 N LIG 1 -2.582 -2.452 -0.020 0.00 0.00 -0.295 N ATOM 6 C LIG 1 -3.424 -2.689 -1.129 0.00 0.00 +0.330 A ATOM 7 N LIG 1 -3.249 -1.587 -1.996 0.00 0.00 -0.295 N ATOM 8 C LIG 1 -3.945 -1.375 -3.233 0.00 0.00 +0.154 C ATOM 9 O LIG 1 -4.156 -3.649 -1.302 0.00 0.00 -0.246 OA ATOM 10 C LIG 1 -2.422 -3.322 1.107 0.00 0.00 +0.154 C ATOM 11 C LIG 1 -2.335 -0.694 -1.423 0.00 0.00 +0.072 A ATOM 12 C LIG 1 -1.867 0.518 -1.889 0.00 0.00 +0.056 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -0.410 2.474 -1.483 0.00 0.00 -0.211 N ATOM 14 H LIG 1 0.292 2.813 -0.819 0.00 0.00 +0.174 HD BRANCH 13 15 ATOM 15 S LIG 1 -1.494 3.750 -1.775 0.00 0.00 +0.091 S ATOM 16 O LIG 1 -0.695 4.949 -1.925 0.00 0.00 -0.148 OA ATOM 17 O LIG 1 -2.471 3.365 -2.772 0.00 0.00 -0.148 OA BRANCH 15 23 ATOM 18 C LIG 1 -3.560 3.297 2.999 0.00 0.00 +0.086 C ATOM 19 C LIG 1 -3.249 3.811 1.641 0.00 0.00 +0.109 A ATOM 20 N LIG 1 -3.843 4.923 1.084 0.00 0.00 -0.336 N ATOM 21 C LIG 1 -4.840 5.763 1.706 0.00 0.00 +0.150 C ATOM 22 C LIG 1 -3.349 5.083 -0.180 0.00 0.00 +0.136 A ATOM 23 C LIG 1 -2.438 4.062 -0.341 0.00 0.00 +0.215 A ATOM 24 N LIG 1 -2.372 3.289 0.808 0.00 0.00 -0.213 NA ENDBRANCH 15 23 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 2 25 ATOM 25 O LIG 1 0.404 1.378 0.877 0.00 0.00 -0.454 OA BRANCH 25 26 ATOM 26 C LIG 1 1.431 0.698 1.492 0.00 0.00 +0.132 A ATOM 27 C LIG 1 2.262 -0.193 0.797 0.00 0.00 +0.092 A ATOM 28 C LIG 1 3.302 -0.835 1.471 0.00 0.00 +0.124 A ATOM 29 C LIG 1 3.512 -0.562 2.827 0.00 0.00 +0.046 A ATOM 30 C LIG 1 2.699 0.347 3.510 0.00 0.00 +0.007 A ATOM 31 C LIG 1 1.659 0.985 2.838 0.00 0.00 +0.046 A BRANCH 28 32 ATOM 32 O LIG 1 4.179 -1.735 0.932 0.00 0.00 -0.487 OA BRANCH 32 33 ATOM 33 C LIG 1 4.007 -2.072 -0.445 0.00 0.00 +0.264 C BRANCH 33 34 ATOM 34 C LIG 1 5.064 -3.081 -0.828 0.00 0.00 -0.010 A ATOM 35 C LIG 1 5.992 -2.801 -1.842 0.00 0.00 +0.007 A ATOM 36 C LIG 1 6.955 -3.743 -2.201 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.995 -4.979 -1.559 0.00 0.00 +0.000 A ATOM 38 C LIG 1 6.082 -5.269 -0.546 0.00 0.00 +0.000 A ATOM 39 C LIG 1 5.122 -4.325 -0.182 0.00 0.00 +0.007 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 8