REMARK Name = BDB058784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.233 -1.798 -0.406 0.00 0.00 +0.056 A ATOM 2 C LIG 1 0.324 -2.324 -1.354 0.00 0.00 +0.006 A ATOM 3 C LIG 1 -1.064 -2.062 -1.185 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.957 -2.582 -2.153 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -1.519 -3.342 -3.239 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.168 -3.598 -3.396 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -1.517 -1.277 -0.076 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -0.572 -0.762 0.820 0.00 0.00 +0.025 A ATOM 9 C LIG 1 0.742 -3.094 -2.467 0.00 0.00 +0.010 A ATOM 10 C LIG 1 0.786 -1.022 0.659 0.00 0.00 +0.027 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 2.643 -2.000 -0.521 0.00 0.00 -0.216 N ATOM 12 H LIG 1 2.967 -2.947 -0.712 0.00 0.00 +0.174 HD BRANCH 11 13 ATOM 13 S LIG 1 3.541 -0.857 -1.385 0.00 0.00 +0.072 S ATOM 14 O LIG 1 4.807 -1.494 -1.683 0.00 0.00 -0.150 OA ATOM 15 O LIG 1 2.729 -0.286 -2.436 0.00 0.00 -0.150 OA BRANCH 13 19 ATOM 16 C LIG 1 4.375 2.351 1.758 0.00 0.00 +0.120 A ATOM 17 C LIG 1 5.095 1.154 1.767 0.00 0.00 +0.047 A ATOM 18 C LIG 1 4.839 0.172 0.805 0.00 0.00 +0.032 A ATOM 19 C LIG 1 3.854 0.390 -0.162 0.00 0.00 +0.109 A ATOM 20 C LIG 1 3.139 1.588 -0.190 0.00 0.00 +0.032 A ATOM 21 C LIG 1 3.400 2.561 0.776 0.00 0.00 +0.047 A BRANCH 16 23 ATOM 22 C LIG 1 5.537 3.249 3.629 0.00 0.00 +0.277 C ATOM 23 O LIG 1 4.524 3.385 2.640 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 13 19 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 7 24 ATOM 24 N LIG 1 -2.901 -1.028 0.057 0.00 0.00 -0.331 N ATOM 25 H LIG 1 -3.372 -1.940 0.096 0.00 0.00 +0.147 HD BRANCH 24 26 ATOM 26 CA LIG 1 -3.436 -0.147 1.117 0.00 0.00 +0.181 C BRANCH 26 27 ATOM 27 C LIG 1 -3.593 -0.924 2.430 0.00 0.00 +0.325 C ATOM 28 O LIG 1 -3.802 -2.124 2.535 0.00 0.00 -0.249 OA BRANCH 27 29 ATOM 29 OXT LIG 1 -3.513 -0.142 3.524 0.00 0.00 -0.479 OA ATOM 30 HXT LIG 1 -3.640 -0.756 4.278 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 BRANCH 26 31 ATOM 31 C LIG 1 -4.825 0.337 0.679 0.00 0.00 +0.056 C BRANCH 31 32 ATOM 32 C LIG 1 -4.875 0.982 -0.703 0.00 0.00 +0.168 C BRANCH 32 33 ATOM 33 S LIG 1 -3.950 2.502 -0.859 0.00 0.00 -0.034 S ATOM 34 O LIG 1 -4.665 3.340 -1.804 0.00 0.00 -0.175 OA ATOM 35 O LIG 1 -3.643 2.999 0.469 0.00 0.00 -0.175 OA ATOM 36 C LIG 1 -2.423 2.031 -1.639 0.00 0.00 +0.194 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 24 26 ENDBRANCH 7 24 TORSDOF 11