REMARK Name = BDB000267 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.548 2.247 -1.306 0.00 0.00 +0.038 C ATOM 2 C LIG 1 1.902 2.941 -0.933 0.00 0.00 +0.075 C ATOM 3 C LIG 1 1.715 3.971 0.216 0.00 0.00 +0.100 C ATOM 4 N LIG 1 0.653 4.949 -0.044 0.00 0.00 -0.314 NA ATOM 5 H LIG 1 0.895 5.501 -0.866 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 -0.621 4.269 -0.275 0.00 0.00 +0.081 C ATOM 7 C LIG 1 -0.536 3.337 -1.480 0.00 0.00 +0.025 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -1.054 -1.091 1.017 0.00 0.00 +0.121 A ATOM 9 C LIG 1 -0.008 -0.324 1.528 0.00 0.00 +0.046 A ATOM 10 C LIG 1 0.525 0.751 0.807 0.00 0.00 +0.007 A ATOM 11 C LIG 1 0.024 1.091 -0.452 0.00 0.00 -0.042 A ATOM 12 C LIG 1 -1.021 0.299 -0.963 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -1.559 -0.774 -0.238 0.00 0.00 +0.046 A BRANCH 8 14 ATOM 14 O LIG 1 -1.473 -2.090 1.847 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 -2.569 -2.922 1.480 0.00 0.00 +0.231 C BRANCH 15 16 ATOM 16 C LIG 1 -3.824 -2.552 2.264 0.00 0.00 +0.069 C BRANCH 16 17 ATOM 17 C LIG 1 -4.334 -1.149 1.952 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 O LIG 1 -5.549 -0.892 2.662 0.00 0.00 -0.375 OA BRANCH 18 19 ATOM 19 C LIG 1 -6.725 -1.286 1.944 0.00 0.00 +0.198 C BRANCH 19 21 ATOM 20 C LIG 1 -7.828 -0.639 -0.255 0.00 0.00 +0.125 A ATOM 21 C LIG 1 -7.147 -0.256 0.916 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -6.921 1.111 1.159 0.00 0.00 +0.009 A ATOM 23 C LIG 1 -7.329 2.077 0.242 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -7.980 1.690 -0.924 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -8.231 0.339 -1.171 0.00 0.00 +0.046 A BRANCH 20 27 ATOM 26 C LIG 1 -8.838 -2.396 -1.516 0.00 0.00 +0.277 C ATOM 27 O LIG 1 -8.045 -1.984 -0.410 0.00 0.00 -0.495 OA ENDBRANCH 20 27 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 28 ATOM 28 N LIG 1 3.030 2.045 -0.626 0.00 0.00 -0.308 NA ATOM 29 H LIG 1 3.849 2.594 -0.365 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 3.395 1.163 -1.731 0.00 0.00 +0.116 C BRANCH 30 31 ATOM 31 C LIG 1 4.615 0.351 -1.365 0.00 0.00 -0.034 A ATOM 32 C LIG 1 5.884 0.709 -1.834 0.00 0.00 +0.005 A ATOM 33 C LIG 1 7.011 -0.035 -1.466 0.00 0.00 +0.009 A ATOM 34 C LIG 1 6.902 -1.149 -0.619 0.00 0.00 -0.018 A ATOM 35 C LIG 1 5.625 -1.495 -0.148 0.00 0.00 +0.009 A ATOM 36 C LIG 1 4.497 -0.753 -0.512 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 8.090 -1.926 -0.231 0.00 0.00 -0.018 A ATOM 38 C LIG 1 8.141 -3.317 -0.423 0.00 0.00 +0.008 A ATOM 39 C LIG 1 9.270 -4.055 -0.056 0.00 0.00 +0.001 A ATOM 40 C LIG 1 10.368 -3.414 0.511 0.00 0.00 +0.000 A ATOM 41 C LIG 1 10.338 -2.037 0.713 0.00 0.00 +0.001 A ATOM 42 C LIG 1 9.209 -1.300 0.345 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 2 28 TORSDOF 13