REMARK Name = BDB036495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.613 -0.611 -0.169 0.00 0.00 +0.078 A ATOM 2 C LIG 1 0.712 -0.683 -1.263 0.00 0.00 +0.142 A ATOM 3 C LIG 1 -0.570 -1.242 -1.118 0.00 0.00 +0.062 A ATOM 4 C LIG 1 -0.971 -1.722 0.144 0.00 0.00 +0.068 A ATOM 5 C LIG 1 -0.061 -1.639 1.183 0.00 0.00 +0.171 A ATOM 6 O LIG 1 -0.608 -2.162 2.309 0.00 0.00 -0.353 OA ATOM 7 N LIG 1 -1.884 -2.610 2.036 0.00 0.00 -0.061 NA ATOM 8 C LIG 1 -2.110 -2.322 0.749 0.00 0.00 +0.188 A ATOM 9 C LIG 1 1.221 -1.101 1.085 0.00 0.00 +0.076 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 2.905 -0.074 -0.409 0.00 0.00 -0.297 N ATOM 11 H LIG 1 2.890 0.516 -1.245 0.00 0.00 +0.154 HD BRANCH 10 16 ATOM 12 C LIG 1 6.092 -0.059 1.197 0.00 0.00 +0.171 A ATOM 13 N LIG 1 5.551 -1.192 1.687 0.00 0.00 -0.166 NA ATOM 14 N LIG 1 4.347 -1.268 1.096 0.00 0.00 -0.263 N ATOM 15 H LIG 1 3.781 -2.091 1.262 0.00 0.00 +0.190 HD ATOM 16 C LIG 1 4.052 -0.203 0.292 0.00 0.00 +0.119 A ATOM 17 C LIG 1 5.184 0.576 0.300 0.00 0.00 +0.080 A BRANCH 12 18 ATOM 18 C LIG 1 7.440 0.397 1.573 0.00 0.00 +0.359 C ATOM 19 O LIG 1 8.182 -0.189 2.355 0.00 0.00 -0.243 OA BRANCH 18 21 ATOM 20 C LIG 1 9.080 2.047 1.279 0.00 0.00 +0.280 C ATOM 21 O LIG 1 7.778 1.567 0.944 0.00 0.00 -0.463 OA ENDBRANCH 18 21 ENDBRANCH 12 18 ENDBRANCH 10 16 ENDBRANCH 1 10 BRANCH 2 22 ATOM 22 O LIG 1 1.199 -0.162 -2.443 0.00 0.00 -0.493 OA ATOM 23 C LIG 1 0.344 -0.216 -3.581 0.00 0.00 +0.277 C ENDBRANCH 2 22 BRANCH 8 24 ATOM 24 N LIG 1 -3.359 -2.642 0.229 0.00 0.00 -0.196 N ATOM 25 H LIG 1 -4.005 -3.022 0.919 0.00 0.00 +0.175 HD BRANCH 24 26 ATOM 26 S LIG 1 -4.183 -1.722 -0.905 0.00 0.00 +0.081 S ATOM 27 O LIG 1 -3.513 -1.917 -2.173 0.00 0.00 -0.150 OA ATOM 28 O LIG 1 -5.587 -2.063 -0.781 0.00 0.00 -0.150 OA BRANCH 26 29 ATOM 29 C LIG 1 -4.010 -0.041 -0.355 0.00 0.00 +0.191 A ATOM 30 C LIG 1 -3.561 0.961 -1.224 0.00 0.00 +0.150 A ATOM 31 C LIG 1 -3.371 2.263 -0.755 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -3.676 2.582 0.563 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -4.163 1.597 1.424 0.00 0.00 +0.048 A ATOM 34 C LIG 1 -4.331 0.279 0.980 0.00 0.00 +0.150 A BRANCH 30 35 ATOM 35 O LIG 1 -3.220 0.726 -2.526 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -4.336 0.968 -3.388 0.00 0.00 +0.277 C ENDBRANCH 30 35 BRANCH 34 37 ATOM 37 O LIG 1 -4.805 -0.731 1.775 0.00 0.00 -0.493 OA ATOM 38 C LIG 1 -4.940 -0.477 3.169 0.00 0.00 +0.277 C ENDBRANCH 34 37 ENDBRANCH 26 29 ENDBRANCH 24 26 ENDBRANCH 8 24 TORSDOF 10