REMARK Name = BDB028628 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.910 0.250 -1.648 0.00 0.00 +0.188 A ATOM 2 C LIG 1 0.495 0.436 -1.569 0.00 0.00 +0.064 A ATOM 3 C LIG 1 0.997 -0.849 -1.523 0.00 0.00 +0.170 A ATOM 4 C LIG 1 2.349 -1.160 -1.439 0.00 0.00 +0.055 A ATOM 5 C LIG 1 3.262 -0.082 -1.396 0.00 0.00 -0.020 A ATOM 6 C LIG 1 2.788 1.252 -1.442 0.00 0.00 -0.045 A ATOM 7 C LIG 1 3.727 2.431 -1.414 0.00 0.00 +0.044 C ATOM 8 O LIG 1 -0.031 -1.735 -1.572 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 1.400 1.512 -1.529 0.00 0.00 +0.019 A ATOM 10 N LIG 1 -1.230 -1.047 -1.652 0.00 0.00 -0.061 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -1.831 1.288 -1.698 0.00 0.00 -0.196 N ATOM 12 H LIG 1 -1.530 2.233 -1.488 0.00 0.00 +0.175 HD BRANCH 11 13 ATOM 13 S LIG 1 -3.486 1.081 -1.528 0.00 0.00 +0.081 S ATOM 14 O LIG 1 -3.929 0.272 -2.643 0.00 0.00 -0.150 OA ATOM 15 O LIG 1 -4.025 2.416 -1.337 0.00 0.00 -0.150 OA BRANCH 13 17 ATOM 16 C LIG 1 -4.474 -0.915 0.119 0.00 0.00 +0.150 A ATOM 17 C LIG 1 -3.676 0.227 0.010 0.00 0.00 +0.191 A ATOM 18 C LIG 1 -3.017 0.715 1.148 0.00 0.00 +0.150 A ATOM 19 C LIG 1 -3.100 0.027 2.363 0.00 0.00 +0.048 A ATOM 20 C LIG 1 -3.891 -1.115 2.465 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -4.591 -1.573 1.350 0.00 0.00 +0.048 A BRANCH 16 23 ATOM 22 C LIG 1 -4.743 -2.568 -1.471 0.00 0.00 +0.277 C ATOM 23 O LIG 1 -5.253 -1.353 -0.916 0.00 0.00 -0.493 OA ENDBRANCH 16 23 BRANCH 18 24 ATOM 24 O LIG 1 -2.235 1.841 1.081 0.00 0.00 -0.493 OA ATOM 25 C LIG 1 -2.837 2.922 1.800 0.00 0.00 +0.277 C ENDBRANCH 18 24 ENDBRANCH 13 17 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 4.739 -0.419 -1.304 0.00 0.00 +0.179 C BRANCH 26 27 ATOM 27 N LIG 1 5.080 -0.995 -0.009 0.00 0.00 -0.267 N ATOM 28 N LIG 1 5.262 -2.328 0.112 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 5.574 -2.490 1.400 0.00 0.00 +0.134 A ATOM 30 C LIG 1 5.609 -1.271 2.101 0.00 0.00 +0.041 A ATOM 31 C LIG 1 5.292 -0.319 1.161 0.00 0.00 +0.108 A ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7