REMARK Name = BDB005087 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.316 -2.569 0.944 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.152 -1.821 1.170 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.085 -2.446 1.407 0.00 0.00 -0.029 A ATOM 4 C LIG 1 1.147 -3.843 1.411 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.006 -4.595 1.189 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.231 -3.961 0.957 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.768 -2.349 0.463 0.00 0.00 +0.266 C ATOM 8 N LIG 1 -2.506 -1.848 0.714 0.00 0.00 -0.280 N ATOM 9 H LIG 1 -2.415 -0.843 0.735 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -4.063 -3.537 0.397 0.00 0.00 -0.268 OA BRANCH 7 15 ATOM 11 C LIG 1 -6.120 0.430 0.016 0.00 0.00 +0.066 A ATOM 12 N LIG 1 -6.909 -0.637 -0.148 0.00 0.00 -0.178 NA ATOM 13 N LIG 1 -6.082 -1.682 0.009 0.00 0.00 -0.272 N ATOM 14 H LIG 1 -6.455 -2.624 -0.071 0.00 0.00 +0.189 HD ATOM 15 C LIG 1 -4.782 -1.337 0.269 0.00 0.00 +0.121 A ATOM 16 C LIG 1 -4.781 0.045 0.279 0.00 0.00 +0.057 A BRANCH 11 18 ATOM 17 C LIG 1 -6.553 2.583 1.227 0.00 0.00 +0.014 C ATOM 18 C LIG 1 -6.694 1.815 -0.088 0.00 0.00 +0.033 C ATOM 19 C LIG 1 -6.063 2.601 -1.239 0.00 0.00 +0.014 C ENDBRANCH 11 18 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 2.325 -1.612 1.636 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 2.655 -0.922 0.394 0.00 0.00 -0.324 N ATOM 22 H LIG 1 2.757 -1.588 -0.367 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 3.808 -0.109 0.451 0.00 0.00 +0.130 A ATOM 24 C LIG 1 4.222 0.587 -0.705 0.00 0.00 +0.041 A ATOM 25 C LIG 1 5.385 1.372 -0.586 0.00 0.00 +0.088 A ATOM 26 C LIG 1 5.824 2.065 -1.735 0.00 0.00 +0.063 A ATOM 27 C LIG 1 5.121 1.985 -2.953 0.00 0.00 +0.015 A ATOM 28 C LIG 1 3.969 1.222 -3.054 0.00 0.00 +0.002 A ATOM 29 N LIG 1 6.038 1.449 0.596 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 5.539 0.770 1.635 0.00 0.00 +0.223 A ATOM 31 C LIG 1 3.523 0.530 -1.937 0.00 0.00 +0.013 A ATOM 32 N LIG 1 4.455 -0.003 1.621 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 7.047 2.929 -1.755 0.00 0.00 +0.244 C ATOM 34 O LIG 1 7.391 3.531 -2.767 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 7.787 3.038 -0.616 0.00 0.00 -0.325 N ATOM 36 H LIG 1 7.502 2.567 0.238 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 8.601 3.635 -0.615 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 7