REMARK Name = BDB000352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.477 0.224 0.750 0.00 0.00 +0.025 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.959 -0.342 0.506 0.00 0.00 -0.003 C BRANCH 2 3 ATOM 3 C LIG 1 -1.589 -1.019 1.762 0.00 0.00 -0.014 C ATOM 4 C LIG 1 -1.900 -0.049 2.905 0.00 0.00 +0.007 C ATOM 5 C LIG 1 -2.834 -1.855 1.446 0.00 0.00 +0.007 C ENDBRANCH 2 3 BRANCH 2 6 ATOM 6 C LIG 1 -1.806 0.811 -0.108 0.00 0.00 +0.039 C BRANCH 6 7 ATOM 7 C LIG 1 -3.071 0.410 -0.828 0.00 0.00 -0.043 A ATOM 8 C LIG 1 -4.309 0.923 -0.424 0.00 0.00 +0.053 A ATOM 9 C LIG 1 -5.479 0.544 -1.087 0.00 0.00 +0.165 A ATOM 10 C LIG 1 -5.437 -0.300 -2.206 0.00 0.00 +0.162 A ATOM 11 C LIG 1 -4.200 -0.797 -2.619 0.00 0.00 +0.049 A ATOM 12 C LIG 1 -3.029 -0.445 -1.937 0.00 0.00 +0.007 A BRANCH 10 13 ATOM 13 O LIG 1 -6.635 -0.571 -2.810 0.00 0.00 -0.491 OA ATOM 14 C LIG 1 -6.598 -1.276 -4.044 0.00 0.00 +0.277 C ENDBRANCH 10 13 BRANCH 9 15 ATOM 15 O LIG 1 -6.652 1.092 -0.632 0.00 0.00 -0.466 OA BRANCH 15 16 ATOM 16 C LIG 1 -7.426 0.103 0.067 0.00 0.00 +0.393 C BRANCH 16 17 ATOM 17 S LIG 1 -8.850 0.783 0.935 0.00 0.00 +0.001 S ATOM 18 O LIG 1 -9.860 1.174 -0.032 0.00 0.00 -0.171 OA ATOM 19 O LIG 1 -9.188 -0.119 2.024 0.00 0.00 -0.171 OA ATOM 20 C LIG 1 -8.204 2.268 1.666 0.00 0.00 +0.198 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 6 7 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 1.547 -0.795 1.212 0.00 0.00 +0.080 C BRANCH 21 22 ATOM 22 N LIG 1 1.481 -1.003 2.661 0.00 0.00 -0.325 NA ATOM 23 H LIG 1 2.223 -1.632 2.966 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 1.631 -0.125 3.156 0.00 0.00 +0.119 HD ENDBRANCH 21 22 BRANCH 21 25 ATOM 25 C LIG 1 2.991 -0.401 0.756 0.00 0.00 +0.132 C BRANCH 25 26 ATOM 26 O LIG 1 3.086 -0.395 -0.674 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 2.667 -1.214 -0.995 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 3.475 0.954 1.305 0.00 0.00 +0.045 C BRANCH 28 29 ATOM 29 C LIG 1 4.784 1.490 0.693 0.00 0.00 +0.074 C ATOM 30 C LIG 1 5.148 2.831 1.336 0.00 0.00 +0.017 C BRANCH 29 33 ATOM 31 N LIG 1 5.964 -0.472 -0.109 0.00 0.00 -0.315 N ATOM 32 H LIG 1 5.218 -0.477 -0.801 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 5.935 0.503 0.862 0.00 0.00 +0.216 C ATOM 34 O LIG 1 6.738 0.556 1.788 0.00 0.00 -0.276 OA BRANCH 31 35 ATOM 35 C LIG 1 6.985 -1.494 -0.160 0.00 0.00 +0.104 C BRANCH 35 36 ATOM 36 C LIG 1 8.301 -1.006 -0.766 0.00 0.00 +0.018 C BRANCH 36 38 ATOM 37 C LIG 1 7.442 0.272 -2.820 0.00 0.00 +0.004 C ATOM 38 C LIG 1 8.293 -0.873 -2.293 0.00 0.00 -0.002 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 18