REMARK Name = BDB036548 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.606 -1.913 -0.673 0.00 0.00 +0.142 A ATOM 2 C LIG 1 -2.252 -0.860 0.033 0.00 0.00 +0.079 A ATOM 3 C LIG 1 -1.668 0.414 0.062 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -0.463 0.575 -0.616 0.00 0.00 +0.171 A ATOM 5 C LIG 1 0.189 -0.426 -1.306 0.00 0.00 +0.068 A ATOM 6 C LIG 1 1.355 0.210 -1.810 0.00 0.00 +0.188 A ATOM 7 N LIG 1 1.399 1.497 -1.453 0.00 0.00 -0.061 NA ATOM 8 O LIG 1 0.258 1.724 -0.704 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 -0.387 -1.709 -1.344 0.00 0.00 +0.062 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -1.714 -4.202 -1.369 0.00 0.00 +0.277 C ATOM 11 O LIG 1 -2.272 -3.121 -0.633 0.00 0.00 -0.493 OA ENDBRANCH 1 11 BRANCH 2 12 ATOM 12 N LIG 1 -3.466 -1.154 0.680 0.00 0.00 -0.281 N ATOM 13 H LIG 1 -3.779 -2.111 0.574 0.00 0.00 +0.155 HD BRANCH 12 14 ATOM 14 C LIG 1 -4.373 -0.427 1.439 0.00 0.00 +0.220 A ATOM 15 N LIG 1 -5.441 -1.120 1.868 0.00 0.00 -0.219 NA ATOM 16 C LIG 1 -6.360 -0.468 2.609 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -7.547 -1.252 3.079 0.00 0.00 +0.066 C ATOM 18 C LIG 1 -6.235 0.866 2.933 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -5.111 1.505 2.456 0.00 0.00 +0.044 A ATOM 20 C LIG 1 -4.881 2.956 2.752 0.00 0.00 +0.066 C ATOM 21 N LIG 1 -4.181 0.871 1.715 0.00 0.00 -0.219 NA ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 6 22 ATOM 22 N LIG 1 2.330 -0.431 -2.562 0.00 0.00 -0.196 N ATOM 23 H LIG 1 2.330 -1.444 -2.620 0.00 0.00 +0.175 HD BRANCH 22 24 ATOM 24 S LIG 1 3.828 0.233 -2.914 0.00 0.00 +0.081 S ATOM 25 O LIG 1 3.592 1.405 -3.730 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 4.627 -0.865 -3.428 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 4.508 0.666 -1.338 0.00 0.00 +0.191 A ATOM 28 C LIG 1 4.504 -0.287 -0.308 0.00 0.00 +0.150 A ATOM 29 C LIG 1 4.978 0.047 0.965 0.00 0.00 +0.048 A ATOM 30 C LIG 1 5.517 1.309 1.200 0.00 0.00 +0.007 A ATOM 31 C LIG 1 5.574 2.241 0.165 0.00 0.00 +0.048 A ATOM 32 C LIG 1 5.056 1.929 -1.099 0.00 0.00 +0.150 A BRANCH 28 33 ATOM 33 O LIG 1 3.984 -1.541 -0.511 0.00 0.00 -0.493 OA ATOM 34 C LIG 1 5.018 -2.530 -0.488 0.00 0.00 +0.277 C ENDBRANCH 28 33 BRANCH 32 35 ATOM 35 O LIG 1 5.219 2.846 -2.100 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 4.310 3.939 -1.955 0.00 0.00 +0.277 C ENDBRANCH 32 35 ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 8