REMARK Name = BDB036486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.910 1.633 0.279 0.00 0.00 +0.142 A ATOM 2 C LIG 1 2.423 0.308 0.315 0.00 0.00 +0.078 A ATOM 3 C LIG 1 1.645 -0.759 -0.159 0.00 0.00 +0.076 A ATOM 4 C LIG 1 0.383 -0.444 -0.654 0.00 0.00 +0.171 A ATOM 5 C LIG 1 -0.145 0.831 -0.706 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -1.437 0.642 -1.267 0.00 0.00 +0.188 A ATOM 7 N LIG 1 -1.668 -0.647 -1.530 0.00 0.00 -0.061 NA ATOM 8 O LIG 1 -0.525 -1.326 -1.147 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 0.628 1.906 -0.227 0.00 0.00 +0.062 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 2.410 3.950 0.569 0.00 0.00 +0.277 C ATOM 11 O LIG 1 2.757 2.589 0.799 0.00 0.00 -0.493 OA ENDBRANCH 1 11 BRANCH 2 12 ATOM 12 N LIG 1 3.733 0.114 0.827 0.00 0.00 -0.296 N ATOM 13 H LIG 1 4.017 0.931 1.371 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 4.633 -0.859 0.528 0.00 0.00 +0.139 A ATOM 15 N LIG 1 5.600 -1.226 1.441 0.00 0.00 -0.252 N ATOM 16 C LIG 1 5.763 -0.721 2.785 0.00 0.00 +0.174 C ATOM 17 N LIG 1 6.426 -2.196 1.004 0.00 0.00 -0.174 NA ATOM 18 C LIG 1 6.006 -2.444 -0.241 0.00 0.00 +0.079 A ATOM 19 C LIG 1 6.702 -3.454 -1.078 0.00 0.00 +0.069 C ATOM 20 C LIG 1 4.902 -1.629 -0.590 0.00 0.00 +0.114 A BRANCH 20 21 ATOM 21 C LIG 1 4.263 -1.581 -1.863 0.00 0.00 +0.104 C ATOM 22 N LIG 1 3.762 -1.568 -2.910 0.00 0.00 -0.191 NA ENDBRANCH 20 21 ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 6 23 ATOM 23 N LIG 1 -2.348 1.666 -1.487 0.00 0.00 -0.196 N ATOM 24 H LIG 1 -2.183 2.581 -1.083 0.00 0.00 +0.175 HD BRANCH 23 25 ATOM 25 S LIG 1 -3.955 1.420 -1.893 0.00 0.00 +0.081 S ATOM 26 O LIG 1 -3.971 0.771 -3.187 0.00 0.00 -0.150 OA ATOM 27 O LIG 1 -4.599 2.709 -1.716 0.00 0.00 -0.150 OA BRANCH 25 28 ATOM 28 C LIG 1 -4.582 0.356 -0.625 0.00 0.00 +0.191 A ATOM 29 C LIG 1 -4.352 0.686 0.719 0.00 0.00 +0.150 A ATOM 30 C LIG 1 -4.783 -0.167 1.740 0.00 0.00 +0.048 A ATOM 31 C LIG 1 -5.500 -1.320 1.429 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -5.779 -1.623 0.098 0.00 0.00 +0.048 A ATOM 33 C LIG 1 -5.309 -0.798 -0.931 0.00 0.00 +0.150 A BRANCH 29 34 ATOM 34 O LIG 1 -3.653 1.818 1.058 0.00 0.00 -0.493 OA ATOM 35 C LIG 1 -4.517 2.783 1.668 0.00 0.00 +0.277 C ENDBRANCH 29 34 BRANCH 33 36 ATOM 36 O LIG 1 -5.689 -1.094 -2.211 0.00 0.00 -0.493 OA ATOM 37 C LIG 1 -4.958 -2.209 -2.725 0.00 0.00 +0.277 C ENDBRANCH 33 36 ENDBRANCH 25 28 ENDBRANCH 23 25 ENDBRANCH 6 23 TORSDOF 9