REMARK Name = BDB010359 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.147 -0.039 1.165 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.034 0.307 0.416 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.957 -0.602 0.716 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.475 -1.245 1.841 0.00 0.00 +0.185 A ATOM 5 N LIG 1 1.167 -2.152 2.549 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.382 -2.371 2.025 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.919 -1.830 0.914 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 2.203 -0.941 0.199 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.804 -0.875 2.123 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 -6.631 -0.265 0.881 0.00 0.00 +0.007 C ATOM 11 C LIG 1 -5.152 -0.560 0.624 0.00 0.00 -0.011 C ATOM 12 C LIG 1 -4.557 0.493 -0.325 0.00 0.00 +0.030 C ATOM 13 C LIG 1 -3.017 0.443 -0.408 0.00 0.00 +0.107 C ATOM 14 N LIG 1 -2.400 0.449 0.941 0.00 0.00 -0.294 N ATOM 15 C LIG 1 -3.322 0.445 2.085 0.00 0.00 +0.109 C ATOM 16 C LIG 1 -4.367 -0.657 1.944 0.00 0.00 +0.022 C BRANCH 13 17 ATOM 17 C LIG 1 -2.567 -0.685 -1.341 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -2.398 -2.010 -0.910 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -1.974 -3.005 -1.794 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -1.727 -2.695 -3.129 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -1.910 -1.392 -3.583 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -2.331 -0.397 -2.698 0.00 0.00 +0.005 A ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 6 23 ATOM 23 C LIG 1 3.208 -3.361 2.752 0.00 0.00 +0.220 A ATOM 24 N LIG 1 2.719 -3.929 3.867 0.00 0.00 -0.269 N ATOM 25 H LIG 1 1.819 -3.762 4.288 0.00 0.00 +0.174 HD ATOM 26 C LIG 1 3.653 -4.776 4.315 0.00 0.00 +0.440 A ATOM 27 O LIG 1 3.567 -5.480 5.308 0.00 0.00 -0.221 OA ATOM 28 O LIG 1 4.731 -4.723 3.466 0.00 0.00 -0.295 OA ATOM 29 N LIG 1 4.395 -3.776 2.445 0.00 0.00 -0.051 NA ENDBRANCH 6 23 BRANCH 8 30 ATOM 30 N LIG 1 2.690 -0.433 -0.999 0.00 0.00 -0.324 N ATOM 31 H LIG 1 1.943 -0.196 -1.642 0.00 0.00 +0.148 HD BRANCH 30 32 ATOM 32 C LIG 1 3.796 -1.144 -1.649 0.00 0.00 +0.072 C ATOM 33 C LIG 1 4.566 -0.114 -2.482 0.00 0.00 +0.028 C BRANCH 32 34 ATOM 34 C LIG 1 3.265 -2.242 -2.576 0.00 0.00 +0.009 C ATOM 35 C LIG 1 2.694 -3.537 -1.929 0.00 0.00 +0.005 C ATOM 36 C LIG 1 3.279 -4.306 -3.130 0.00 0.00 +0.001 C ATOM 37 C LIG 1 4.316 -3.171 -3.250 0.00 0.00 +0.005 C ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 8 30 BRANCH 2 38 ATOM 38 C LIG 1 0.128 1.507 -0.385 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 -0.167 2.831 0.351 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -0.119 3.999 -0.648 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -0.361 5.342 0.037 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.627 5.578 1.185 0.00 0.00 -0.014 C ATOM 43 C LIG 1 0.336 6.904 1.884 0.00 0.00 +0.007 C ATOM 44 C LIG 1 0.582 4.417 2.186 0.00 0.00 +0.003 C ATOM 45 C LIG 1 0.822 3.071 1.503 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 2 38 TORSDOF 8