REMARK Name = BDB060755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.501 0.159 0.013 0.00 0.00 -0.275 N ATOM 2 C LIG 1 -3.413 1.187 0.035 0.00 0.00 +0.347 A ATOM 3 O LIG 1 -4.257 1.443 -0.810 0.00 0.00 -0.245 OA ATOM 4 N LIG 1 -3.168 1.870 1.223 0.00 0.00 -0.209 N ATOM 5 N LIG 1 -2.111 1.299 1.892 0.00 0.00 -0.153 NA ATOM 6 C LIG 1 -1.772 0.294 1.136 0.00 0.00 +0.134 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.409 -0.807 -1.062 0.00 0.00 +0.163 C BRANCH 7 12 ATOM 8 C LIG 1 -3.235 -4.458 -0.281 0.00 0.00 +0.165 A ATOM 9 C LIG 1 -4.636 -4.392 -0.196 0.00 0.00 +0.204 A ATOM 10 C LIG 1 -5.327 -3.192 -0.430 0.00 0.00 +0.165 A ATOM 11 C LIG 1 -4.593 -2.038 -0.711 0.00 0.00 +0.055 A ATOM 12 C LIG 1 -3.188 -2.072 -0.769 0.00 0.00 -0.020 A ATOM 13 C LIG 1 -2.520 -3.291 -0.560 0.00 0.00 +0.055 A BRANCH 8 15 ATOM 14 C LIG 1 -1.294 -5.841 -0.379 0.00 0.00 +0.277 C ATOM 15 O LIG 1 -2.668 -5.685 -0.054 0.00 0.00 -0.491 OA ENDBRANCH 8 15 BRANCH 9 16 ATOM 16 O LIG 1 -5.348 -5.549 0.042 0.00 0.00 -0.488 OA ATOM 17 C LIG 1 -5.580 -5.692 1.442 0.00 0.00 +0.277 C ENDBRANCH 9 16 BRANCH 10 18 ATOM 18 O LIG 1 -6.695 -3.250 -0.351 0.00 0.00 -0.491 OA ATOM 19 C LIG 1 -7.420 -2.072 -0.676 0.00 0.00 +0.277 C ENDBRANCH 10 18 ENDBRANCH 7 12 ENDBRANCH 1 7 BRANCH 4 20 ATOM 20 C LIG 1 -3.782 3.111 1.624 0.00 0.00 +0.184 C BRANCH 20 21 ATOM 21 C LIG 1 -3.038 4.310 1.089 0.00 0.00 -0.026 A ATOM 22 C LIG 1 -3.393 4.879 -0.142 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -2.690 5.976 -0.645 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -1.610 6.513 0.064 0.00 0.00 -0.050 A ATOM 25 C LIG 1 -0.876 7.711 -0.462 0.00 0.00 +0.044 C ATOM 26 C LIG 1 -1.255 5.947 1.293 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -1.956 4.849 1.797 0.00 0.00 +0.006 A ENDBRANCH 20 21 ENDBRANCH 4 20 BRANCH 6 28 ATOM 28 C LIG 1 -0.622 -0.607 1.484 0.00 0.00 +0.077 C BRANCH 28 29 ATOM 29 C LIG 1 0.662 -0.120 0.818 0.00 0.00 +0.012 C BRANCH 29 30 ATOM 30 C LIG 1 1.851 -0.999 1.207 0.00 0.00 +0.035 C BRANCH 30 31 ATOM 31 C LIG 1 3.115 -0.569 0.506 0.00 0.00 -0.047 A ATOM 32 C LIG 1 3.867 0.507 0.997 0.00 0.00 +0.007 A ATOM 33 C LIG 1 5.027 0.918 0.337 0.00 0.00 +0.046 A ATOM 34 C LIG 1 5.455 0.240 -0.802 0.00 0.00 +0.122 A ATOM 35 C LIG 1 4.691 -0.798 -1.327 0.00 0.00 +0.046 A ATOM 36 C LIG 1 3.531 -1.210 -0.669 0.00 0.00 +0.007 A BRANCH 34 37 ATOM 37 O LIG 1 6.558 0.688 -1.469 0.00 0.00 -0.475 OA BRANCH 37 38 ATOM 38 C LIG 1 7.810 0.045 -1.140 0.00 0.00 +0.200 C ATOM 39 C LIG 1 8.136 0.009 0.360 0.00 0.00 +0.067 C ATOM 40 C LIG 1 7.890 -1.364 -1.744 0.00 0.00 +0.067 C BRANCH 38 41 ATOM 41 C LIG 1 8.875 0.923 -1.817 0.00 0.00 +0.348 C ATOM 42 O LIG 1 9.737 0.559 -2.603 0.00 0.00 -0.247 OA BRANCH 41 43 ATOM 43 O LIG 1 8.818 2.225 -1.454 0.00 0.00 -0.478 OA ATOM 44 H LIG 1 9.520 2.651 -1.988 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 38 41 ENDBRANCH 37 38 ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 6 28 TORSDOF 15