REMARK Name = BDB032096 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.263 0.497 1.543 0.00 0.00 +0.035 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 2.984 0.012 -1.106 0.00 0.00 -0.014 A ATOM 3 C LIG 1 2.288 -0.005 0.114 0.00 0.00 +0.012 A ATOM 4 C LIG 1 0.983 0.499 0.218 0.00 0.00 -0.047 A ATOM 5 C LIG 1 0.369 1.036 -0.917 0.00 0.00 +0.003 A ATOM 6 C LIG 1 1.043 1.063 -2.136 0.00 0.00 +0.001 A ATOM 7 C LIG 1 2.341 0.558 -2.228 0.00 0.00 +0.008 A BRANCH 2 9 ATOM 8 C LIG 1 4.689 -1.845 -0.862 0.00 0.00 +0.128 A ATOM 9 C LIG 1 4.355 -0.521 -1.204 0.00 0.00 +0.024 A ATOM 10 C LIG 1 5.399 0.322 -1.634 0.00 0.00 +0.016 A ATOM 11 C LIG 1 6.729 -0.126 -1.714 0.00 0.00 -0.036 A ATOM 12 C LIG 1 7.029 -1.437 -1.329 0.00 0.00 +0.008 A ATOM 13 C LIG 1 6.013 -2.290 -0.901 0.00 0.00 +0.046 A BRANCH 8 14 ATOM 14 O LIG 1 3.756 -2.752 -0.417 0.00 0.00 -0.492 OA BRANCH 14 16 ATOM 15 C LIG 1 2.379 -4.591 -1.049 0.00 0.00 +0.048 C ATOM 16 C LIG 1 3.009 -3.292 -1.514 0.00 0.00 +0.226 C ENDBRANCH 14 16 ENDBRANCH 8 14 BRANCH 11 17 ATOM 17 C LIG 1 7.822 0.806 -2.179 0.00 0.00 +0.155 C BRANCH 17 18 ATOM 18 C LIG 1 8.479 1.589 -1.071 0.00 0.00 +0.309 C ATOM 19 O LIG 1 8.340 1.468 0.134 0.00 0.00 -0.251 OA BRANCH 18 20 ATOM 20 O LIG 1 9.332 2.516 -1.559 0.00 0.00 -0.480 OA ATOM 21 H LIG 1 9.693 2.950 -0.754 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 11 17 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 22 ATOM 22 C LIG 1 0.567 1.765 2.349 0.00 0.00 +0.012 C BRANCH 22 23 ATOM 23 C LIG 1 -0.185 1.792 3.680 0.00 0.00 +0.077 C BRANCH 23 24 ATOM 24 C LIG 1 -1.673 1.940 3.500 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -2.564 1.329 4.305 0.00 0.00 -0.280 N ATOM 26 C LIG 1 -3.804 1.639 3.796 0.00 0.00 +0.347 A ATOM 27 O LIG 1 -4.882 1.195 4.156 0.00 0.00 -0.245 OA ATOM 28 N LIG 1 -3.559 2.533 2.755 0.00 0.00 -0.209 N ATOM 29 N LIG 1 -2.204 2.687 2.573 0.00 0.00 -0.153 NA BRANCH 25 30 ATOM 30 C LIG 1 -2.356 0.364 5.366 0.00 0.00 +0.125 C ATOM 31 C LIG 1 -2.239 -1.052 4.822 0.00 0.00 +0.027 C ENDBRANCH 25 30 BRANCH 28 32 ATOM 32 C LIG 1 -4.529 2.945 1.769 0.00 0.00 +0.184 C BRANCH 32 33 ATOM 33 C LIG 1 -4.573 1.994 0.597 0.00 0.00 -0.026 A ATOM 34 C LIG 1 -5.418 0.880 0.614 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -5.420 -0.032 -0.449 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -4.574 0.134 -1.557 0.00 0.00 -0.042 A ATOM 37 C LIG 1 -3.729 1.260 -1.558 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -3.724 2.172 -0.498 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -4.533 -0.863 -2.728 0.00 0.00 -0.013 C ATOM 40 C LIG 1 -3.114 -1.462 -2.848 0.00 0.00 +0.015 C ATOM 41 C LIG 1 -4.892 -0.136 -4.042 0.00 0.00 +0.015 C ATOM 42 C LIG 1 -5.518 -2.044 -2.576 0.00 0.00 +0.015 C ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 14