REMARK Name = BDB027071 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.014 0.039 -0.536 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.327 1.529 -0.471 0.00 0.00 -0.023 A ATOM 3 C LIG 1 1.725 2.113 0.743 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.023 3.475 0.814 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.929 4.270 -0.326 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.538 3.706 -1.538 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.240 2.344 -1.612 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.424 -0.188 -1.095 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.600 -0.369 -2.306 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 -5.762 -0.698 -0.462 0.00 0.00 -0.013 A ATOM 11 C LIG 1 -5.084 -0.387 0.729 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -3.690 -0.232 0.682 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -2.949 -0.372 -0.491 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -1.566 -0.147 -0.168 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -1.527 0.124 1.190 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -3.645 -0.684 -1.678 0.00 0.00 +0.011 A ATOM 17 N LIG 1 -2.803 0.074 1.685 0.00 0.00 -0.360 N ATOM 18 H LIG 1 -3.065 0.239 2.648 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -5.038 -0.841 -1.651 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 -10.416 -1.798 0.879 0.00 0.00 +0.172 C ATOM 21 N LIG 1 -9.257 -1.359 0.142 0.00 0.00 -0.274 N ATOM 22 N LIG 1 -9.407 -0.899 -1.112 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 -8.159 -0.601 -1.485 0.00 0.00 +0.142 A ATOM 24 C LIG 1 -7.206 -0.861 -0.471 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -7.962 -1.355 0.573 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 1.970 -0.733 -1.375 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 1.791 -0.484 -2.351 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.388 -0.554 -1.062 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 3.792 -1.071 0.326 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 5.272 -0.894 0.580 0.00 0.00 -0.046 A ATOM 31 C LIG 1 5.785 0.369 0.916 0.00 0.00 +0.004 A ATOM 32 C LIG 1 7.151 0.540 1.145 0.00 0.00 +0.015 A ATOM 33 C LIG 1 8.016 -0.555 1.027 0.00 0.00 +0.059 A ATOM 34 C LIG 1 7.513 -1.819 0.709 0.00 0.00 +0.015 A ATOM 35 C LIG 1 6.146 -1.985 0.479 0.00 0.00 +0.004 A BRANCH 33 36 ATOM 36 C LIG 1 9.469 -0.411 1.264 0.00 0.00 +0.337 C ATOM 37 O LIG 1 10.129 -1.223 1.888 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 9.988 0.689 0.678 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 9.377 1.146 0.070 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10