REMARK Name = BDB052875 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.117 -1.016 0.923 0.00 0.00 -0.308 N ATOM 2 H LIG 1 -1.231 -1.267 -0.062 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 0.149 -0.830 1.421 0.00 0.00 +0.234 C ATOM 4 O LIG 1 0.384 -0.384 2.543 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 1.271 -1.200 0.435 0.00 0.00 +0.165 C BRANCH 5 6 ATOM 6 N LIG 1 2.548 -0.760 0.998 0.00 0.00 -0.304 N ATOM 7 H LIG 1 2.512 -0.373 1.940 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 3.674 -0.609 0.225 0.00 0.00 +0.214 C ATOM 9 O LIG 1 3.722 -0.954 -0.953 0.00 0.00 -0.276 OA BRANCH 8 10 ATOM 10 C LIG 1 4.832 0.017 0.979 0.00 0.00 +0.103 C BRANCH 10 11 ATOM 11 C LIG 1 6.073 0.241 0.099 0.00 0.00 +0.025 C ATOM 12 C LIG 1 6.832 -1.067 -0.168 0.00 0.00 +0.013 C BRANCH 11 13 ATOM 13 C LIG 1 6.991 1.278 0.731 0.00 0.00 -0.044 A ATOM 14 C LIG 1 7.214 2.499 0.075 0.00 0.00 +0.004 A ATOM 15 C LIG 1 8.038 3.472 0.644 0.00 0.00 +0.000 A ATOM 16 C LIG 1 8.650 3.238 1.873 0.00 0.00 +0.000 A ATOM 17 C LIG 1 8.438 2.031 2.536 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.612 1.058 1.970 0.00 0.00 +0.004 A ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 5 6 BRANCH 5 19 ATOM 19 C LIG 1 1.260 -2.708 0.116 0.00 0.00 +0.086 C BRANCH 19 20 ATOM 20 C LIG 1 1.013 -2.959 -1.334 0.00 0.00 +0.038 A ATOM 21 N LIG 1 1.925 -2.615 -2.303 0.00 0.00 -0.348 N ATOM 22 H LIG 1 2.814 -2.145 -2.146 0.00 0.00 +0.166 HD ATOM 23 C LIG 1 1.381 -2.947 -3.510 0.00 0.00 +0.196 A ATOM 24 N LIG 1 0.189 -3.483 -3.374 0.00 0.00 -0.244 NA ATOM 25 C LIG 1 -0.043 -3.511 -2.024 0.00 0.00 +0.133 A ENDBRANCH 19 20 ENDBRANCH 5 19 ENDBRANCH 3 5 BRANCH 1 26 ATOM 26 C LIG 1 -2.336 -0.576 1.591 0.00 0.00 +0.104 C BRANCH 26 27 ATOM 27 C LIG 1 -2.455 0.969 1.617 0.00 0.00 +0.028 C BRANCH 27 28 ATOM 28 C LIG 1 -2.338 1.685 0.250 0.00 0.00 -0.009 C ATOM 29 C LIG 1 -1.096 2.605 0.225 0.00 0.00 +0.003 C ATOM 30 C LIG 1 -1.222 3.695 -0.832 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -2.403 4.622 -0.538 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -3.535 3.935 0.227 0.00 0.00 +0.000 C ATOM 33 C LIG 1 -3.628 2.453 -0.114 0.00 0.00 +0.003 C ENDBRANCH 27 28 ENDBRANCH 26 27 BRANCH 26 34 ATOM 34 C LIG 1 -3.592 -1.346 1.070 0.00 0.00 +0.163 C BRANCH 34 35 ATOM 35 O LIG 1 -4.751 -0.933 1.799 0.00 0.00 -0.387 OA ATOM 36 H LIG 1 -5.001 -0.042 1.503 0.00 0.00 +0.210 HD ENDBRANCH 34 35 BRANCH 34 37 ATOM 37 C LIG 1 -3.851 -1.308 -0.464 0.00 0.00 +0.145 C BRANCH 37 38 ATOM 38 O LIG 1 -2.620 -1.540 -1.170 0.00 0.00 -0.389 OA ATOM 39 H LIG 1 -2.821 -1.583 -2.124 0.00 0.00 +0.210 HD ENDBRANCH 37 38 BRANCH 37 40 ATOM 40 C LIG 1 -4.857 -2.375 -0.948 0.00 0.00 +0.037 C BRANCH 40 42 ATOM 41 C LIG 1 -7.148 -3.396 -1.032 0.00 0.00 +0.007 C ATOM 42 C LIG 1 -6.317 -2.230 -0.487 0.00 0.00 -0.015 C ATOM 43 C LIG 1 -6.937 -0.904 -0.934 0.00 0.00 +0.007 C ENDBRANCH 40 42 ENDBRANCH 37 40 ENDBRANCH 34 37 ENDBRANCH 26 34 ENDBRANCH 1 26 TORSDOF 16