REMARK Name = BDB004260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.228 -0.434 0.775 0.00 0.00 +0.006 C ATOM 2 C LIG 1 0.920 0.600 -0.116 0.00 0.00 +0.024 C ATOM 3 C LIG 1 2.448 0.542 0.048 0.00 0.00 +0.107 C ATOM 4 N LIG 1 2.918 -0.829 0.314 0.00 0.00 -0.315 N ATOM 5 C LIG 1 2.085 -1.886 -0.256 0.00 0.00 +0.107 C ATOM 6 C LIG 1 0.703 -1.856 0.406 0.00 0.00 +0.024 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 4.310 -0.979 0.246 0.00 0.00 +0.121 A ATOM 8 N LIG 1 5.078 0.095 -0.045 0.00 0.00 -0.240 NA ATOM 9 C LIG 1 6.425 -0.049 -0.100 0.00 0.00 +0.117 A ATOM 10 C LIG 1 7.097 -1.245 0.112 0.00 0.00 -0.021 A ATOM 11 C LIG 1 6.306 -2.341 0.454 0.00 0.00 +0.009 A ATOM 12 C LIG 1 4.919 -2.203 0.531 0.00 0.00 +0.044 A BRANCH 10 13 ATOM 13 C LIG 1 8.607 -1.377 0.024 0.00 0.00 +0.065 C ATOM 14 C LIG 1 9.332 -1.017 1.347 0.00 0.00 +0.068 C ATOM 15 C LIG 1 10.845 -1.129 1.111 0.00 0.00 +0.238 C ATOM 16 O LIG 1 11.348 -0.322 0.045 0.00 0.00 -0.491 OA ATOM 17 C LIG 1 10.601 -0.299 -1.099 0.00 0.00 +0.128 A ATOM 18 C LIG 1 11.236 0.260 -2.210 0.00 0.00 +0.091 A ATOM 19 C LIG 1 10.577 0.322 -3.429 0.00 0.00 +0.120 A ATOM 20 C LIG 1 9.287 -0.174 -3.561 0.00 0.00 +0.046 A ATOM 21 C LIG 1 8.646 -0.722 -2.446 0.00 0.00 +0.011 A ATOM 22 C LIG 1 9.281 -0.759 -1.189 0.00 0.00 +0.003 A BRANCH 14 23 ATOM 23 C LIG 1 8.908 0.287 2.023 0.00 0.00 -0.040 A ATOM 24 C LIG 1 9.396 1.546 1.646 0.00 0.00 +0.004 A ATOM 25 C LIG 1 8.957 2.708 2.290 0.00 0.00 +0.000 A ATOM 26 C LIG 1 8.018 2.631 3.314 0.00 0.00 +0.000 A ATOM 27 C LIG 1 7.520 1.392 3.704 0.00 0.00 +0.000 A ATOM 28 C LIG 1 7.963 0.232 3.066 0.00 0.00 +0.004 A ENDBRANCH 14 23 BRANCH 19 29 ATOM 29 O LIG 1 11.236 0.876 -4.484 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 10.658 0.847 -5.264 0.00 0.00 +0.292 HD ENDBRANCH 19 29 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 31 ATOM 31 C LIG 1 -1.310 -0.328 0.791 0.00 0.00 +0.088 C BRANCH 31 42 ATOM 32 N LIG 1 -10.007 1.524 0.333 0.00 0.00 -0.281 N ATOM 33 C LIG 1 -10.097 0.420 -0.492 0.00 0.00 +0.248 C ATOM 34 O LIG 1 -11.092 -0.187 -0.833 0.00 0.00 -0.270 OA ATOM 35 C LIG 1 -8.732 0.101 -0.923 0.00 0.00 +0.045 A ATOM 36 C LIG 1 -8.293 -0.928 -1.728 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -6.920 -1.003 -1.982 0.00 0.00 +0.027 A ATOM 38 C LIG 1 -6.003 -0.079 -1.424 0.00 0.00 +0.073 A ATOM 39 N LIG 1 -4.637 -0.160 -1.733 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -3.838 1.006 -1.275 0.00 0.00 +0.125 C ATOM 41 C LIG 1 -2.321 0.674 -1.236 0.00 0.00 +0.110 C ATOM 42 N LIG 1 -1.918 -0.558 -0.523 0.00 0.00 -0.299 NA ATOM 43 C LIG 1 -3.009 -1.553 -0.475 0.00 0.00 +0.103 C ATOM 44 C LIG 1 -4.354 1.498 0.082 0.00 0.00 +0.252 C ATOM 45 O LIG 1 -5.727 1.910 0.001 0.00 0.00 -0.488 OA ATOM 46 C LIG 1 -3.970 -1.476 -1.681 0.00 0.00 +0.121 C ATOM 47 C LIG 1 -6.511 0.959 -0.603 0.00 0.00 +0.147 A ATOM 48 C LIG 1 -7.873 1.044 -0.373 0.00 0.00 +0.025 A ATOM 49 C LIG 1 -8.646 2.039 0.419 0.00 0.00 +0.148 C BRANCH 32 56 ATOM 50 O LIG 1 -14.960 0.745 0.262 0.00 0.00 -0.275 OA ATOM 51 C LIG 1 -13.827 1.159 0.499 0.00 0.00 +0.219 C ATOM 52 N LIG 1 -13.329 2.251 -0.166 0.00 0.00 -0.255 N ATOM 53 H LIG 1 -13.922 2.620 -0.895 0.00 0.00 +0.158 HD ATOM 54 C LIG 1 -12.068 2.788 -0.099 0.00 0.00 +0.240 C ATOM 55 O LIG 1 -11.714 3.656 -0.897 0.00 0.00 -0.273 OA ATOM 56 C LIG 1 -11.126 2.215 0.962 0.00 0.00 +0.163 C ATOM 57 C LIG 1 -11.855 1.421 2.043 0.00 0.00 +0.041 C ATOM 58 C LIG 1 -12.928 0.490 1.508 0.00 0.00 +0.098 C ENDBRANCH 32 56 ENDBRANCH 31 42 ENDBRANCH 1 31 TORSDOF 7