REMARK Name = BDB042046 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.188 -1.899 1.909 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -1.046 -1.634 1.324 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -1.244 -1.075 -0.019 0.00 0.00 +0.123 C ATOM 4 C LIG 1 -2.527 -0.227 -0.120 0.00 0.00 +0.104 C ATOM 5 N LIG 1 -3.708 -0.964 0.365 0.00 0.00 -0.289 NA ATOM 6 C LIG 1 -3.493 -1.356 1.771 0.00 0.00 +0.104 C ATOM 7 C LIG 1 -2.236 -2.232 1.932 0.00 0.00 +0.123 C ATOM 8 O LIG 1 0.325 -2.398 3.023 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 15 ATOM 9 N LIG 1 5.402 0.590 0.215 0.00 0.00 -0.282 N ATOM 10 C LIG 1 5.018 -0.419 -0.649 0.00 0.00 +0.248 C ATOM 11 O LIG 1 5.605 -0.848 -1.621 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 3.737 -0.938 -0.156 0.00 0.00 +0.042 A ATOM 13 C LIG 1 3.430 -0.273 1.031 0.00 0.00 -0.017 A ATOM 14 C LIG 1 2.268 -0.574 1.719 0.00 0.00 +0.019 A ATOM 15 C LIG 1 1.419 -1.549 1.173 0.00 0.00 +0.037 A ATOM 16 C LIG 1 1.754 -2.236 -0.015 0.00 0.00 +0.014 A ATOM 17 C LIG 1 2.930 -1.922 -0.699 0.00 0.00 +0.014 A ATOM 18 C LIG 1 4.519 0.688 1.370 0.00 0.00 +0.144 C BRANCH 9 25 ATOM 19 O LIG 1 9.657 0.115 -2.492 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 8.762 0.473 -1.730 0.00 0.00 +0.219 C ATOM 21 N LIG 1 8.755 0.059 -0.424 0.00 0.00 -0.255 N ATOM 22 H LIG 1 9.481 -0.598 -0.176 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 7.816 0.304 0.544 0.00 0.00 +0.240 C ATOM 24 O LIG 1 7.866 -0.277 1.629 0.00 0.00 -0.273 OA ATOM 25 C LIG 1 6.689 1.277 0.194 0.00 0.00 +0.163 C ATOM 26 C LIG 1 6.972 2.114 -1.051 0.00 0.00 +0.041 C ATOM 27 C LIG 1 7.626 1.351 -2.188 0.00 0.00 +0.098 C ENDBRANCH 9 25 ENDBRANCH 1 15 BRANCH 5 28 ATOM 28 C LIG 1 -5.013 -0.285 0.145 0.00 0.00 +0.119 C BRANCH 28 29 ATOM 29 C LIG 1 -5.535 -0.428 -1.292 0.00 0.00 -0.008 A ATOM 30 C LIG 1 -6.656 0.287 -1.720 0.00 0.00 +0.116 A ATOM 31 N LIG 1 -7.212 0.191 -2.952 0.00 0.00 -0.263 NA ATOM 32 C LIG 1 -6.646 -0.684 -3.806 0.00 0.00 +0.111 A ATOM 33 C LIG 1 -5.556 -1.472 -3.483 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -5.006 -1.347 -2.209 0.00 0.00 +0.008 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.085 1.138 0.715 0.00 0.00 -0.026 A ATOM 36 C LIG 1 -5.628 1.351 1.994 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.703 2.636 2.535 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.240 3.729 1.806 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.700 3.539 0.537 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -4.621 2.255 -0.005 0.00 0.00 +0.005 A ENDBRANCH 28 35 ENDBRANCH 5 28 TORSDOF 5