REMARK Name = BDB049868 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.142 -2.502 -1.931 0.00 0.00 -0.213 N ATOM 2 C LIG 1 0.697 -3.224 -2.773 0.00 0.00 +0.169 A ATOM 3 C LIG 1 1.977 -2.725 -2.576 0.00 0.00 +0.086 A ATOM 4 C LIG 1 3.013 -3.322 -3.307 0.00 0.00 +0.131 A ATOM 5 N LIG 1 2.714 -4.315 -4.166 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 1.432 -4.698 -4.284 0.00 0.00 +0.225 A ATOM 7 C LIG 1 1.825 -1.689 -1.617 0.00 0.00 +0.106 A ATOM 8 N LIG 1 0.369 -4.219 -3.625 0.00 0.00 -0.216 NA ATOM 9 N LIG 1 0.555 -1.585 -1.205 0.00 0.00 -0.164 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -4.356 -2.728 -1.349 0.00 0.00 +0.035 A ATOM 11 C LIG 1 -3.715 -3.616 -2.220 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -2.330 -3.551 -2.429 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -1.557 -2.607 -1.748 0.00 0.00 +0.068 A ATOM 14 C LIG 1 -2.197 -1.741 -0.847 0.00 0.00 +0.029 A ATOM 15 C LIG 1 -3.583 -1.806 -0.645 0.00 0.00 +0.025 A BRANCH 10 19 ATOM 16 N LIG 1 -6.388 -0.727 -0.572 0.00 0.00 -0.251 N ATOM 17 H LIG 1 -5.617 -0.370 -1.113 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -6.702 -2.048 -0.667 0.00 0.00 +0.309 C ATOM 19 N LIG 1 -5.747 -2.871 -1.200 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -6.145 -3.759 -1.484 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -7.791 -2.538 -0.373 0.00 0.00 -0.252 OA BRANCH 16 25 ATOM 22 C LIG 1 -8.773 1.416 0.982 0.00 0.00 +0.144 A ATOM 23 O LIG 1 -7.821 2.261 0.493 0.00 0.00 -0.357 OA ATOM 24 N LIG 1 -6.835 1.534 -0.143 0.00 0.00 -0.063 NA ATOM 25 C LIG 1 -7.193 0.250 -0.034 0.00 0.00 +0.169 A ATOM 26 C LIG 1 -8.405 0.126 0.677 0.00 0.00 +0.092 A BRANCH 22 28 ATOM 27 C LIG 1 -10.557 3.151 0.841 0.00 0.00 +0.019 C ATOM 28 C LIG 1 -9.925 2.049 1.710 0.00 0.00 +0.023 C ATOM 29 C LIG 1 -9.422 2.665 3.028 0.00 0.00 +0.019 C ATOM 30 C LIG 1 -11.009 1.007 2.037 0.00 0.00 +0.019 C ENDBRANCH 22 28 ENDBRANCH 16 25 ENDBRANCH 10 19 ENDBRANCH 1 13 BRANCH 7 31 ATOM 31 C LIG 1 2.844 -0.802 -1.063 0.00 0.00 +0.003 A ATOM 32 C LIG 1 3.707 -0.087 -1.900 0.00 0.00 +0.013 A ATOM 33 C LIG 1 4.686 0.745 -1.352 0.00 0.00 +0.046 A ATOM 34 C LIG 1 4.815 0.883 0.032 0.00 0.00 +0.121 A ATOM 35 C LIG 1 3.942 0.190 0.869 0.00 0.00 +0.046 A ATOM 36 C LIG 1 2.960 -0.646 0.324 0.00 0.00 +0.013 A BRANCH 34 37 ATOM 37 O LIG 1 5.815 1.724 0.429 0.00 0.00 -0.491 OA BRANCH 37 38 ATOM 38 C LIG 1 6.055 1.843 1.833 0.00 0.00 +0.244 C BRANCH 38 39 ATOM 39 C LIG 1 7.267 2.765 2.069 0.00 0.00 +0.125 C BRANCH 39 40 ATOM 40 N LIG 1 8.545 2.274 1.515 0.00 0.00 -0.295 NA ATOM 41 C LIG 1 9.025 1.050 2.189 0.00 0.00 +0.112 C ATOM 42 C LIG 1 10.397 0.611 1.649 0.00 0.00 +0.175 C ATOM 43 O LIG 1 11.372 1.651 1.797 0.00 0.00 -0.377 OA ATOM 44 C LIG 1 10.940 2.824 1.094 0.00 0.00 +0.175 C ATOM 45 C LIG 1 9.587 3.319 1.625 0.00 0.00 +0.112 C ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 34 37 ENDBRANCH 7 31 BRANCH 4 46 ATOM 46 N LIG 1 4.353 -2.984 -3.205 0.00 0.00 -0.342 N ATOM 47 H LIG 1 4.653 -2.636 -2.304 0.00 0.00 +0.144 HD ATOM 48 H LIG 1 4.939 -3.701 -3.619 0.00 0.00 +0.144 HD ENDBRANCH 4 46 TORSDOF 10