REMARK Name = BDB000376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.088 1.085 -1.097 0.00 0.00 +0.080 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.065 -0.279 -0.581 0.00 0.00 -0.325 NA ATOM 3 H LIG 1 -1.049 -0.490 -0.426 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 0.380 -0.360 0.335 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 1.557 1.374 -1.533 0.00 0.00 +0.132 C BRANCH 5 6 ATOM 6 O LIG 1 2.460 1.185 -0.445 0.00 0.00 -0.390 OA ATOM 7 H LIG 1 2.337 0.267 -0.126 0.00 0.00 +0.210 HD ENDBRANCH 5 6 BRANCH 5 8 ATOM 8 C LIG 1 2.042 0.621 -2.791 0.00 0.00 +0.045 C BRANCH 8 9 ATOM 9 C LIG 1 2.259 -0.898 -2.681 0.00 0.00 +0.074 C ATOM 10 C LIG 1 2.555 -1.503 -4.057 0.00 0.00 +0.017 C BRANCH 9 11 ATOM 11 C LIG 1 3.357 -1.248 -1.682 0.00 0.00 +0.216 C ATOM 12 N LIG 1 4.645 -0.988 -2.089 0.00 0.00 -0.314 N ATOM 13 H LIG 1 4.791 -0.426 -2.917 0.00 0.00 +0.149 HD ATOM 14 O LIG 1 3.087 -1.668 -0.558 0.00 0.00 -0.276 OA BRANCH 12 15 ATOM 15 C LIG 1 5.773 -1.170 -1.192 0.00 0.00 +0.119 C BRANCH 15 16 ATOM 16 C LIG 1 5.940 0.007 -0.208 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 N LIG 1 7.045 -0.100 0.756 0.00 0.00 -0.301 NA ATOM 18 C LIG 1 8.373 -0.071 0.139 0.00 0.00 +0.087 C ATOM 19 C LIG 1 9.466 -0.240 1.193 0.00 0.00 +0.046 C ATOM 20 C LIG 1 9.326 -1.571 1.933 0.00 0.00 +0.117 C ATOM 21 C LIG 1 7.948 -2.207 1.758 0.00 0.00 +0.046 C ATOM 22 C LIG 1 6.849 -1.150 1.760 0.00 0.00 +0.087 C BRANCH 20 23 ATOM 23 O LIG 1 10.319 -2.479 1.454 0.00 0.00 -0.392 OA ATOM 24 H LIG 1 10.242 -3.296 1.976 0.00 0.00 +0.210 HD ENDBRANCH 20 23 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 5 BRANCH 1 25 ATOM 25 C LIG 1 -0.363 2.119 -0.032 0.00 0.00 +0.025 C BRANCH 25 26 ATOM 26 C LIG 1 -1.827 2.001 0.477 0.00 0.00 -0.003 C BRANCH 26 27 ATOM 27 C LIG 1 -2.120 2.974 1.667 0.00 0.00 -0.014 C ATOM 28 C LIG 1 -1.905 4.453 1.337 0.00 0.00 +0.007 C ATOM 29 C LIG 1 -1.315 2.606 2.920 0.00 0.00 +0.007 C ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 C LIG 1 -2.830 2.181 -0.694 0.00 0.00 +0.039 C BRANCH 30 35 ATOM 31 C LIG 1 -6.074 0.468 0.384 0.00 0.00 +0.162 A ATOM 32 C LIG 1 -6.981 1.546 0.360 0.00 0.00 +0.162 A ATOM 33 C LIG 1 -6.527 2.817 -0.003 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -5.187 3.022 -0.343 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -4.279 1.960 -0.323 0.00 0.00 -0.043 A ATOM 36 C LIG 1 -4.734 0.682 0.038 0.00 0.00 +0.053 A BRANCH 32 37 ATOM 37 O LIG 1 -8.276 1.254 0.713 0.00 0.00 -0.491 OA ATOM 38 C LIG 1 -9.230 2.303 0.634 0.00 0.00 +0.277 C ENDBRANCH 32 37 BRANCH 31 39 ATOM 39 O LIG 1 -6.596 -0.749 0.747 0.00 0.00 -0.488 OA BRANCH 39 40 ATOM 40 C LIG 1 -5.697 -1.847 0.892 0.00 0.00 +0.231 C BRANCH 40 41 ATOM 41 C LIG 1 -6.493 -3.062 1.367 0.00 0.00 +0.069 C BRANCH 41 42 ATOM 42 C LIG 1 -7.436 -3.589 0.286 0.00 0.00 +0.163 C BRANCH 42 44 ATOM 43 C LIG 1 -6.299 -5.443 -0.676 0.00 0.00 +0.193 C ATOM 44 O LIG 1 -6.715 -4.094 -0.839 0.00 0.00 -0.383 OA ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 31 39 ENDBRANCH 30 35 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 21