REMARK Name = BDB039485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.356 -4.982 -1.019 0.00 0.00 +0.150 C ATOM 2 N LIG 1 1.367 -3.974 -1.234 0.00 0.00 -0.335 N ATOM 3 C LIG 1 1.156 -2.626 -1.089 0.00 0.00 +0.141 A ATOM 4 C LIG 1 2.354 -1.975 -1.369 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.374 -0.569 -1.278 0.00 0.00 -0.021 A ATOM 6 C LIG 1 1.160 0.044 -0.907 0.00 0.00 +0.034 A ATOM 7 C LIG 1 0.018 -0.715 -0.637 0.00 0.00 +0.074 A ATOM 8 C LIG 1 3.301 -2.988 -1.695 0.00 0.00 +0.029 A ATOM 9 N LIG 1 -0.015 -2.066 -0.735 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 2.666 -4.209 -1.603 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.261 -0.089 -0.227 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -2.490 -0.638 -0.657 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -3.679 -0.043 -0.268 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -5.085 -0.437 -0.568 0.00 0.00 +0.144 C ATOM 15 N LIG 1 -5.856 0.634 0.048 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -5.054 1.483 0.797 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -5.392 2.385 1.538 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -3.665 1.083 0.547 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -2.496 1.652 1.008 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -1.292 1.056 0.614 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 -7.307 0.548 0.175 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -7.711 -0.177 1.468 0.00 0.00 +0.240 C ATOM 23 O LIG 1 -7.042 -1.072 1.984 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 -8.951 0.140 1.975 0.00 0.00 -0.255 N ATOM 25 H LIG 1 -9.230 -0.365 2.805 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -9.901 0.962 1.423 0.00 0.00 +0.219 C ATOM 27 O LIG 1 -11.029 1.036 1.904 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -9.518 1.687 0.154 0.00 0.00 +0.098 C ATOM 29 C LIG 1 -8.015 1.899 0.072 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 3.593 0.281 -1.561 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 3.955 1.165 -0.442 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 4.924 2.194 -0.835 0.00 0.00 +0.086 C ATOM 33 C LIG 1 6.332 1.645 -1.067 0.00 0.00 +0.041 C ATOM 34 C LIG 1 6.854 0.842 0.130 0.00 0.00 +0.133 C ATOM 35 C LIG 1 5.806 -0.152 0.636 0.00 0.00 +0.041 C ATOM 36 C LIG 1 4.406 0.455 0.761 0.00 0.00 +0.086 C BRANCH 34 37 ATOM 37 S LIG 1 7.487 1.936 1.419 0.00 0.00 -0.031 S ATOM 38 O LIG 1 6.383 2.524 2.150 0.00 0.00 -0.174 OA ATOM 39 O LIG 1 8.499 2.782 0.814 0.00 0.00 -0.174 OA ATOM 40 C LIG 1 8.344 0.849 2.535 0.00 0.00 +0.194 C ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 5