REMARK Name = BDB036484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.906 -0.674 -0.533 0.00 0.00 +0.078 A ATOM 2 C LIG 1 2.279 -0.776 -1.806 0.00 0.00 +0.142 A ATOM 3 C LIG 1 1.095 -0.078 -2.099 0.00 0.00 +0.062 A ATOM 4 C LIG 1 0.533 0.735 -1.097 0.00 0.00 +0.068 A ATOM 5 C LIG 1 1.169 0.818 0.126 0.00 0.00 +0.171 A ATOM 6 O LIG 1 0.473 1.654 0.938 0.00 0.00 -0.353 OA ATOM 7 N LIG 1 -0.639 2.130 0.267 0.00 0.00 -0.061 NA ATOM 8 C LIG 1 -0.599 1.580 -0.950 0.00 0.00 +0.188 A ATOM 9 C LIG 1 2.341 0.143 0.457 0.00 0.00 +0.076 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 4.070 -1.450 -0.305 0.00 0.00 -0.295 N ATOM 11 H LIG 1 4.499 -1.713 -1.191 0.00 0.00 +0.154 HD BRANCH 10 16 ATOM 12 C LIG 1 5.324 -2.363 2.877 0.00 0.00 +0.212 A ATOM 13 N LIG 1 6.334 -2.573 1.982 0.00 0.00 -0.245 N ATOM 14 H LIG 1 7.262 -2.926 2.182 0.00 0.00 +0.192 HD ATOM 15 N LIG 1 6.009 -2.286 0.712 0.00 0.00 -0.156 NA ATOM 16 C LIG 1 4.757 -1.830 0.789 0.00 0.00 +0.148 A ATOM 17 C LIG 1 4.276 -1.889 2.119 0.00 0.00 +0.112 A BRANCH 12 19 ATOM 18 C LIG 1 4.406 -2.390 5.021 0.00 0.00 +0.279 C ATOM 19 O LIG 1 5.518 -2.638 4.167 0.00 0.00 -0.480 OA ENDBRANCH 12 19 ENDBRANCH 10 16 ENDBRANCH 1 10 BRANCH 2 20 ATOM 20 O LIG 1 2.934 -1.595 -2.701 0.00 0.00 -0.493 OA ATOM 21 C LIG 1 2.354 -1.758 -3.989 0.00 0.00 +0.277 C ENDBRANCH 2 20 BRANCH 8 22 ATOM 22 N LIG 1 -1.548 1.791 -1.940 0.00 0.00 -0.196 N ATOM 23 H LIG 1 -1.561 1.193 -2.759 0.00 0.00 +0.175 HD BRANCH 22 24 ATOM 24 S LIG 1 -3.011 2.568 -1.686 0.00 0.00 +0.081 S ATOM 25 O LIG 1 -2.707 3.930 -1.302 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 -3.801 2.303 -2.875 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 -3.769 1.674 -0.360 0.00 0.00 +0.191 A ATOM 28 C LIG 1 -4.310 2.329 0.749 0.00 0.00 +0.150 A ATOM 29 C LIG 1 -4.891 1.589 1.787 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -4.906 0.196 1.737 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -4.375 -0.462 0.631 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -3.836 0.274 -0.430 0.00 0.00 +0.150 A BRANCH 28 33 ATOM 33 O LIG 1 -4.404 3.692 0.807 0.00 0.00 -0.493 OA ATOM 34 C LIG 1 -3.489 4.236 1.761 0.00 0.00 +0.277 C ENDBRANCH 28 33 BRANCH 32 35 ATOM 35 O LIG 1 -3.325 -0.403 -1.510 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -4.375 -0.995 -2.281 0.00 0.00 +0.277 C ENDBRANCH 32 35 ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 9