REMARK Name = BDB060959 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.919 2.458 2.253 0.00 0.00 +0.035 A ATOM 2 C LIG 1 1.444 2.209 0.986 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.674 2.444 -0.160 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.643 2.910 -0.062 0.00 0.00 +0.035 A ATOM 5 C LIG 1 -1.161 3.173 1.205 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.393 2.929 2.353 0.00 0.00 +0.025 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 3.817 2.563 2.830 0.00 0.00 -0.291 N ATOM 8 H LIG 1 3.464 3.215 2.147 0.00 0.00 +0.151 HD ATOM 9 C LIG 1 2.937 1.954 3.668 0.00 0.00 +0.304 C ATOM 10 N LIG 1 1.614 2.199 3.449 0.00 0.00 -0.269 N ATOM 11 H LIG 1 1.046 1.987 4.260 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 3.290 1.275 4.628 0.00 0.00 -0.252 OA BRANCH 7 13 ATOM 13 C LIG 1 5.241 2.319 2.875 0.00 0.00 +0.202 C BRANCH 13 15 ATOM 14 O LIG 1 5.061 1.501 0.611 0.00 0.00 -0.274 OA ATOM 15 C LIG 1 5.688 1.486 1.668 0.00 0.00 +0.234 C ATOM 16 N LIG 1 6.875 0.811 1.908 0.00 0.00 -0.284 N ATOM 17 H LIG 1 7.262 0.882 2.842 0.00 0.00 +0.155 HD BRANCH 16 18 ATOM 18 C LIG 1 7.588 -0.015 1.015 0.00 0.00 +0.033 A ATOM 19 C LIG 1 7.192 -0.272 -0.299 0.00 0.00 +0.024 A ATOM 20 C LIG 1 7.956 -1.107 -1.132 0.00 0.00 +0.013 A ATOM 21 C LIG 1 9.131 -1.692 -0.650 0.00 0.00 +0.014 A ATOM 22 C LIG 1 9.527 -1.448 0.668 0.00 0.00 +0.013 A ATOM 23 C LIG 1 8.762 -0.614 1.495 0.00 0.00 +0.024 A BRANCH 21 24 ATOM 24 C LIG 1 9.958 -2.577 -1.510 0.00 0.00 +0.121 C ATOM 25 N LIG 1 9.761 -2.691 -2.868 0.00 0.00 -0.327 N ATOM 26 H LIG 1 9.455 -1.858 -3.357 0.00 0.00 +0.148 HD ATOM 27 C LIG 1 10.911 -3.369 -3.423 0.00 0.00 +0.126 C ATOM 28 C LIG 1 11.497 -4.029 -2.175 0.00 0.00 +0.162 C ATOM 29 N LIG 1 10.948 -3.281 -1.013 0.00 0.00 -0.267 NA ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 10 BRANCH 4 30 ATOM 30 N LIG 1 -1.330 3.101 -1.273 0.00 0.00 -0.269 N ATOM 31 H LIG 1 -0.763 3.097 -2.112 0.00 0.00 +0.156 HD ATOM 32 C LIG 1 -2.632 3.337 -1.583 0.00 0.00 +0.304 C ATOM 33 N LIG 1 -3.564 3.162 -0.617 0.00 0.00 -0.291 N ATOM 34 H LIG 1 -3.342 2.463 0.080 0.00 0.00 +0.151 HD ATOM 35 O LIG 1 -2.925 3.664 -2.731 0.00 0.00 -0.252 OA BRANCH 33 36 ATOM 36 C LIG 1 -4.979 3.318 -0.889 0.00 0.00 +0.202 C BRANCH 36 37 ATOM 37 C LIG 1 -5.728 2.108 -0.329 0.00 0.00 +0.234 C ATOM 38 N LIG 1 -6.604 1.533 -1.233 0.00 0.00 -0.284 N ATOM 39 H LIG 1 -6.542 1.846 -2.192 0.00 0.00 +0.155 HD ATOM 40 O LIG 1 -5.502 1.721 0.818 0.00 0.00 -0.274 OA BRANCH 38 41 ATOM 41 C LIG 1 -7.502 0.474 -0.987 0.00 0.00 +0.033 A ATOM 42 C LIG 1 -8.147 -0.093 -2.095 0.00 0.00 +0.024 A ATOM 43 C LIG 1 -9.058 -1.146 -1.930 0.00 0.00 +0.013 A ATOM 44 C LIG 1 -9.347 -1.626 -0.650 0.00 0.00 +0.014 A ATOM 45 C LIG 1 -8.722 -1.049 0.457 0.00 0.00 +0.013 A ATOM 46 C LIG 1 -7.798 -0.011 0.288 0.00 0.00 +0.024 A BRANCH 44 47 ATOM 47 C LIG 1 -10.317 -2.731 -0.456 0.00 0.00 +0.121 C ATOM 48 N LIG 1 -10.685 -3.576 -1.480 0.00 0.00 -0.327 N ATOM 49 H LIG 1 -9.959 -3.810 -2.147 0.00 0.00 +0.148 HD ATOM 50 C LIG 1 -11.384 -4.696 -0.887 0.00 0.00 +0.126 C ATOM 51 C LIG 1 -11.744 -4.140 0.490 0.00 0.00 +0.162 C ATOM 52 N LIG 1 -10.854 -2.970 0.716 0.00 0.00 -0.267 NA ENDBRANCH 44 47 ENDBRANCH 38 41 ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 4 30 TORSDOF 10