REMARK Name = BDB000383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.683 -0.264 -1.191 0.00 0.00 +0.025 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.850 0.702 -0.872 0.00 0.00 +0.080 C BRANCH 2 3 ATOM 3 N LIG 1 -1.369 1.858 -0.099 0.00 0.00 -0.325 NA ATOM 4 H LIG 1 -1.355 1.655 0.899 0.00 0.00 +0.119 HD ATOM 5 H LIG 1 -1.969 2.665 -0.258 0.00 0.00 +0.119 HD ENDBRANCH 2 3 BRANCH 2 6 ATOM 6 C LIG 1 -3.125 0.048 -0.255 0.00 0.00 +0.132 C BRANCH 6 7 ATOM 7 O LIG 1 -4.088 1.067 0.037 0.00 0.00 -0.390 OA ATOM 8 H LIG 1 -3.613 1.770 0.509 0.00 0.00 +0.210 HD ENDBRANCH 6 7 BRANCH 6 9 ATOM 9 C LIG 1 -3.755 -1.010 -1.184 0.00 0.00 +0.045 C BRANCH 9 10 ATOM 10 C LIG 1 -5.212 -1.418 -0.861 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -5.402 -1.721 0.626 0.00 0.00 +0.017 C BRANCH 10 12 ATOM 12 C LIG 1 -6.208 -0.403 -1.445 0.00 0.00 +0.216 C ATOM 13 N LIG 1 -7.494 -0.486 -0.959 0.00 0.00 -0.315 N ATOM 14 H LIG 1 -7.717 -1.161 -0.238 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -5.916 0.367 -2.358 0.00 0.00 -0.276 OA BRANCH 13 16 ATOM 16 C LIG 1 -8.560 0.373 -1.434 0.00 0.00 +0.105 C BRANCH 16 17 ATOM 17 C LIG 1 -8.671 1.666 -0.622 0.00 0.00 +0.033 C BRANCH 17 18 ATOM 18 C LIG 1 -7.609 2.719 -0.953 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 -7.814 3.305 -2.285 0.00 0.00 +0.063 C ATOM 20 N LIG 1 -8.017 3.797 -3.317 0.00 0.00 -0.197 NA ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 0.413 -0.535 -0.109 0.00 0.00 -0.003 C BRANCH 21 22 ATOM 22 C LIG 1 -0.144 -1.170 1.200 0.00 0.00 -0.014 C ATOM 23 C LIG 1 0.847 -1.120 2.369 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -0.659 -2.602 1.034 0.00 0.00 +0.007 C ENDBRANCH 21 22 BRANCH 21 25 ATOM 25 C LIG 1 1.541 -1.356 -0.803 0.00 0.00 +0.039 C BRANCH 25 30 ATOM 26 C LIG 1 4.821 -0.292 0.850 0.00 0.00 +0.162 A ATOM 27 C LIG 1 5.431 -1.529 1.105 0.00 0.00 +0.162 A ATOM 28 C LIG 1 4.779 -2.697 0.708 0.00 0.00 +0.049 A ATOM 29 C LIG 1 3.523 -2.633 0.094 0.00 0.00 +0.007 A ATOM 30 C LIG 1 2.888 -1.404 -0.120 0.00 0.00 -0.043 A ATOM 31 C LIG 1 3.554 -0.232 0.258 0.00 0.00 +0.053 A BRANCH 27 32 ATOM 32 O LIG 1 6.665 -1.487 1.703 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 7.183 -2.714 2.202 0.00 0.00 +0.277 C ENDBRANCH 27 32 BRANCH 26 34 ATOM 34 O LIG 1 5.467 0.846 1.267 0.00 0.00 -0.488 OA BRANCH 34 35 ATOM 35 C LIG 1 5.698 1.813 0.233 0.00 0.00 +0.231 C BRANCH 35 36 ATOM 36 C LIG 1 6.838 1.381 -0.690 0.00 0.00 +0.069 C BRANCH 36 37 ATOM 37 C LIG 1 7.113 2.413 -1.780 0.00 0.00 +0.163 C BRANCH 37 39 ATOM 38 C LIG 1 8.782 3.784 -0.782 0.00 0.00 +0.193 C ATOM 39 O LIG 1 7.439 3.696 -1.248 0.00 0.00 -0.383 OA ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 26 34 ENDBRANCH 25 30 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 21