REMARK Name = BDB045776 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.617 0.248 0.105 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.026 0.728 1.279 0.00 0.00 +0.025 A ATOM 3 C LIG 1 1.332 0.507 1.537 0.00 0.00 +0.025 A ATOM 4 C LIG 1 2.125 -0.194 0.625 0.00 0.00 +0.034 A ATOM 5 C LIG 1 1.538 -0.670 -0.546 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.176 -0.449 -0.804 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 -2.485 -0.689 -2.024 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.792 0.075 -1.119 0.00 0.00 +0.248 C ATOM 9 N LIG 1 -1.989 0.518 -0.085 0.00 0.00 -0.282 N ATOM 10 H LIG 1 -2.437 1.035 0.660 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 -4.194 0.572 -1.081 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -5.218 -0.292 -1.481 0.00 0.00 +0.049 A ATOM 13 C LIG 1 -6.537 0.171 -1.464 0.00 0.00 +0.168 A ATOM 14 C LIG 1 -6.853 1.469 -1.060 0.00 0.00 +0.147 A ATOM 15 C LIG 1 -5.826 2.333 -0.679 0.00 0.00 +0.048 A ATOM 16 C LIG 1 -4.498 1.888 -0.695 0.00 0.00 +0.017 A BRANCH 13 17 ATOM 17 N LIG 1 -7.584 -0.738 -1.878 0.00 0.00 +0.060 N ATOM 18 O LIG 1 -7.746 -1.752 -1.185 0.00 0.00 -0.126 OA ATOM 19 O LIG 1 -8.204 -0.462 -2.914 0.00 0.00 -0.126 OA ENDBRANCH 13 17 BRANCH 14 20 ATOM 20 O LIG 1 -8.148 1.892 -1.015 0.00 0.00 -0.504 OA ATOM 21 H LIG 1 -8.187 2.843 -0.815 0.00 0.00 +0.292 HD ENDBRANCH 14 20 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 22 ATOM 22 N LIG 1 3.478 -0.375 0.954 0.00 0.00 -0.280 N ATOM 23 H LIG 1 3.809 0.006 1.838 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 4.460 -1.021 0.227 0.00 0.00 +0.267 C ATOM 25 O LIG 1 4.342 -1.564 -0.864 0.00 0.00 -0.268 OA BRANCH 24 26 ATOM 26 C LIG 1 5.793 -1.009 0.920 0.00 0.00 +0.126 A ATOM 27 N LIG 1 5.833 -0.376 2.130 0.00 0.00 -0.250 NA ATOM 28 C LIG 1 7.029 -0.364 2.757 0.00 0.00 +0.111 A ATOM 29 C LIG 1 8.178 -0.947 2.243 0.00 0.00 +0.020 A ATOM 30 C LIG 1 8.105 -1.584 1.008 0.00 0.00 +0.004 A ATOM 31 C LIG 1 6.892 -1.620 0.329 0.00 0.00 +0.033 A ENDBRANCH 24 26 ENDBRANCH 4 22 TORSDOF 6