REMARK Name = BDB055583 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.270 -1.068 -0.568 0.00 0.00 +0.092 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.561 -1.754 -0.263 0.00 0.00 -0.339 N ATOM 3 H LIG 1 -4.269 -1.457 -0.943 0.00 0.00 +0.146 HD BRANCH 2 4 ATOM 4 C LIG 1 -4.072 -1.595 1.045 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -5.433 -1.293 1.280 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -5.927 -1.155 2.587 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -5.088 -1.371 3.678 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.760 -1.726 3.465 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -3.263 -1.846 2.164 0.00 0.00 +0.023 A BRANCH 5 10 ATOM 10 C LIG 1 -6.351 -1.034 0.141 0.00 0.00 +0.195 C ATOM 11 O LIG 1 -5.967 -0.319 -0.784 0.00 0.00 -0.287 OA BRANCH 10 12 ATOM 12 C LIG 1 -7.713 -1.626 0.100 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -8.718 -0.941 -0.595 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -10.007 -1.470 -0.662 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -10.294 -2.687 -0.045 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -9.292 -3.382 0.632 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -8.000 -2.857 0.702 0.00 0.00 +0.012 A ENDBRANCH 10 12 ENDBRANCH 5 10 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -1.355 -2.090 -1.275 0.00 0.00 +0.059 C BRANCH 18 22 ATOM 19 C LIG 1 2.588 -0.582 -2.226 0.00 0.00 +0.121 A ATOM 20 C LIG 1 2.207 -0.762 -0.897 0.00 0.00 +0.046 A ATOM 21 C LIG 1 0.933 -1.254 -0.590 0.00 0.00 +0.007 A ATOM 22 C LIG 1 0.023 -1.571 -1.607 0.00 0.00 -0.045 A ATOM 23 C LIG 1 0.414 -1.396 -2.939 0.00 0.00 +0.007 A ATOM 24 C LIG 1 1.686 -0.904 -3.242 0.00 0.00 +0.046 A BRANCH 19 25 ATOM 25 O LIG 1 3.793 -0.107 -2.663 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 4.743 0.271 -1.663 0.00 0.00 +0.235 C BRANCH 26 27 ATOM 27 C LIG 1 5.987 0.801 -2.371 0.00 0.00 +0.100 C BRANCH 27 30 ATOM 28 C LIG 1 6.745 3.902 -1.279 0.00 0.00 +0.088 C ATOM 29 C LIG 1 7.292 2.565 -0.992 0.00 0.00 +0.126 A ATOM 30 C LIG 1 7.012 1.283 -1.414 0.00 0.00 +0.086 A ATOM 31 N LIG 1 7.861 0.399 -0.787 0.00 0.00 -0.214 NA ATOM 32 C LIG 1 8.622 1.160 -0.022 0.00 0.00 +0.228 A ATOM 33 O LIG 1 8.321 2.496 -0.096 0.00 0.00 -0.440 OA BRANCH 32 34 ATOM 34 C LIG 1 9.712 0.775 0.870 0.00 0.00 +0.037 A ATOM 35 C LIG 1 10.070 -0.578 0.983 0.00 0.00 +0.013 A ATOM 36 C LIG 1 11.110 -0.977 1.826 0.00 0.00 +0.001 A ATOM 37 C LIG 1 11.808 -0.026 2.568 0.00 0.00 +0.000 A ATOM 38 C LIG 1 11.466 1.321 2.468 0.00 0.00 +0.001 A ATOM 39 C LIG 1 10.425 1.719 1.625 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 19 25 ENDBRANCH 18 22 ENDBRANCH 1 18 BRANCH 1 40 ATOM 40 C LIG 1 -2.537 0.172 -1.467 0.00 0.00 +0.126 C BRANCH 40 41 ATOM 41 N LIG 1 -3.518 1.073 -0.888 0.00 0.00 -0.313 N ATOM 42 H LIG 1 -4.500 0.803 -0.961 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 -3.183 1.893 0.160 0.00 0.00 +0.216 C ATOM 44 O LIG 1 -2.044 2.090 0.560 0.00 0.00 -0.276 OA BRANCH 43 45 ATOM 45 C LIG 1 -4.342 2.507 0.853 0.00 0.00 +0.075 C ATOM 46 C LIG 1 -5.468 3.163 0.090 0.00 0.00 +0.013 C ATOM 47 C LIG 1 -4.497 4.009 0.859 0.00 0.00 +0.013 C ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 1 40 TORSDOF 14