REMARK Name = BDB052676 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.124 0.969 1.928 0.00 0.00 +0.159 C ATOM 2 C LIG 1 -0.801 -0.440 1.396 0.00 0.00 +0.237 C ATOM 3 O LIG 1 -0.742 -1.435 2.116 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 -0.689 -0.531 0.013 0.00 0.00 -0.285 N ATOM 5 C LIG 1 -1.837 -1.070 -0.718 0.00 0.00 +0.079 C ATOM 6 C LIG 1 -1.219 -1.518 -2.046 0.00 0.00 +0.025 C ATOM 7 C LIG 1 0.112 -2.105 -1.609 0.00 0.00 +0.034 C ATOM 8 C LIG 1 -2.958 -0.056 -0.954 0.00 0.00 +0.044 C ATOM 9 C LIG 1 -4.051 0.003 0.133 0.00 0.00 +0.075 C ATOM 10 C LIG 1 -3.602 0.328 1.569 0.00 0.00 +0.024 C ATOM 11 C LIG 1 0.539 -1.182 -0.469 0.00 0.00 +0.162 C ATOM 12 C LIG 1 -2.562 1.443 1.670 0.00 0.00 +0.033 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 0.143 3.109 1.957 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -0.170 1.914 1.353 0.00 0.00 -0.303 N ATOM 15 H LIG 1 0.190 1.729 0.415 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -0.312 3.441 3.052 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 1.160 3.972 1.175 0.00 0.00 +0.137 C ATOM 18 C LIG 1 2.554 3.642 1.708 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 1.702 6.317 0.710 0.00 0.00 +0.101 C ATOM 20 N LIG 1 0.762 5.387 1.307 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 0.634 5.592 2.301 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 9 22 ATOM 22 N LIG 1 -4.840 -1.228 0.147 0.00 0.00 -0.312 N ATOM 23 H LIG 1 -4.645 -1.918 0.864 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -5.847 -1.483 -0.759 0.00 0.00 +0.218 C ATOM 25 O LIG 1 -6.131 -0.705 -1.668 0.00 0.00 -0.275 OA BRANCH 24 26 ATOM 26 C LIG 1 -6.554 -2.826 -0.628 0.00 0.00 +0.130 C BRANCH 26 27 ATOM 27 C LIG 1 -6.551 -3.440 0.752 0.00 0.00 -0.039 A ATOM 28 C LIG 1 -7.347 -2.897 1.771 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -7.318 -3.441 3.055 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.495 -4.530 3.334 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.703 -5.080 2.328 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.729 -4.538 1.042 0.00 0.00 +0.004 A ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 22 BRANCH 11 33 ATOM 33 C LIG 1 1.551 -0.109 -0.920 0.00 0.00 +0.234 C ATOM 34 N LIG 1 2.766 -0.613 -1.321 0.00 0.00 -0.303 N ATOM 35 H LIG 1 2.970 -1.598 -1.215 0.00 0.00 +0.150 HD ATOM 36 O LIG 1 1.298 1.095 -0.904 0.00 0.00 -0.274 OA BRANCH 34 37 ATOM 37 C LIG 1 3.871 0.249 -1.708 0.00 0.00 +0.134 C BRANCH 37 38 ATOM 38 C LIG 1 4.702 -0.480 -2.758 0.00 0.00 -0.023 A ATOM 39 C LIG 1 5.754 -1.347 -2.415 0.00 0.00 +0.006 A ATOM 40 C LIG 1 6.469 -2.025 -3.405 0.00 0.00 +0.000 A ATOM 41 C LIG 1 6.136 -1.857 -4.748 0.00 0.00 +0.000 A ATOM 42 C LIG 1 5.088 -1.013 -5.104 0.00 0.00 +0.000 A ATOM 43 C LIG 1 4.373 -0.332 -4.117 0.00 0.00 +0.006 A ENDBRANCH 37 38 BRANCH 37 44 ATOM 44 C LIG 1 4.678 0.764 -0.518 0.00 0.00 -0.023 A ATOM 45 C LIG 1 5.498 1.894 -0.691 0.00 0.00 +0.006 A ATOM 46 C LIG 1 6.263 2.394 0.364 0.00 0.00 +0.000 A ATOM 47 C LIG 1 6.223 1.773 1.609 0.00 0.00 +0.000 A ATOM 48 C LIG 1 5.423 0.650 1.800 0.00 0.00 +0.000 A ATOM 49 C LIG 1 4.657 0.146 0.745 0.00 0.00 +0.006 A ENDBRANCH 37 44 ENDBRANCH 34 37 ENDBRANCH 11 33 TORSDOF 10