REMARK Name = BDB058793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.418 2.566 1.260 0.00 0.00 -0.192 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.594 1.728 0.686 0.00 0.00 +0.060 A ATOM 3 C LIG 1 -0.454 1.094 -0.578 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.520 0.278 -1.047 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -1.380 -0.357 -2.302 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -0.234 -0.213 -3.082 0.00 0.00 +0.001 A ATOM 7 C LIG 1 0.807 0.577 -2.628 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -2.693 0.107 -0.258 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -2.785 0.752 0.983 0.00 0.00 +0.025 A ATOM 10 C LIG 1 0.697 1.223 -1.397 0.00 0.00 +0.010 A ATOM 11 C LIG 1 -1.751 1.555 1.447 0.00 0.00 +0.027 A BRANCH 8 12 ATOM 12 N LIG 1 -3.730 -0.727 -0.716 0.00 0.00 -0.316 N ATOM 13 C LIG 1 -3.912 -1.982 0.068 0.00 0.00 +0.182 C ATOM 14 C LIG 1 -5.404 -2.007 0.415 0.00 0.00 +0.035 C ATOM 15 C LIG 1 -6.040 -1.199 -0.704 0.00 0.00 +0.021 C ATOM 16 C LIG 1 -5.032 -0.077 -0.917 0.00 0.00 +0.106 C BRANCH 13 17 ATOM 17 C LIG 1 -3.546 -3.215 -0.766 0.00 0.00 +0.325 C ATOM 18 O LIG 1 -3.481 -3.317 -1.982 0.00 0.00 -0.249 OA BRANCH 17 19 ATOM 19 O LIG 1 -3.317 -4.304 0.005 0.00 0.00 -0.479 OA ATOM 20 H LIG 1 -3.075 -4.995 -0.647 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 13 17 ENDBRANCH 8 12 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 S LIG 1 1.426 1.958 2.470 0.00 0.00 +0.075 S ATOM 22 O LIG 1 2.241 3.050 2.969 0.00 0.00 -0.150 OA ATOM 23 O LIG 1 0.666 1.126 3.378 0.00 0.00 -0.150 OA BRANCH 21 27 ATOM 24 C LIG 1 4.263 -0.842 0.203 0.00 0.00 +0.033 A ATOM 25 C LIG 1 4.617 0.495 0.434 0.00 0.00 +0.025 A ATOM 26 C LIG 1 3.756 1.356 1.121 0.00 0.00 +0.030 A ATOM 27 C LIG 1 2.524 0.879 1.572 0.00 0.00 +0.109 A ATOM 28 C LIG 1 2.170 -0.457 1.372 0.00 0.00 +0.030 A ATOM 29 C LIG 1 3.036 -1.310 0.679 0.00 0.00 +0.025 A BRANCH 24 32 ATOM 30 C LIG 1 6.274 -3.478 -1.592 0.00 0.00 +0.109 C ATOM 31 C LIG 1 5.063 -2.971 -0.850 0.00 0.00 +0.214 C ATOM 32 N LIG 1 5.192 -1.639 -0.498 0.00 0.00 -0.286 N ATOM 33 H LIG 1 6.051 -1.181 -0.775 0.00 0.00 +0.155 HD ATOM 34 O LIG 1 4.105 -3.704 -0.635 0.00 0.00 -0.276 OA ENDBRANCH 24 32 ENDBRANCH 21 27 ENDBRANCH 1 21 BRANCH 1 35 ATOM 35 C LIG 1 0.770 3.843 0.619 0.00 0.00 +0.251 C BRANCH 35 36 ATOM 36 C LIG 1 0.492 5.004 1.550 0.00 0.00 +0.324 C ATOM 37 O LIG 1 -0.323 5.051 2.458 0.00 0.00 -0.249 OA BRANCH 36 38 ATOM 38 O LIG 1 1.230 6.095 1.247 0.00 0.00 -0.479 OA ATOM 39 H LIG 1 0.969 6.742 1.937 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 10