REMARK Name = BDB000133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.047 0.509 1.670 0.00 0.00 +0.134 A ATOM 2 C LIG 1 -1.446 0.508 1.498 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -2.196 0.129 2.620 0.00 0.00 +0.080 A ATOM 4 C LIG 1 -3.587 0.124 2.538 0.00 0.00 +0.078 A ATOM 5 C LIG 1 -4.265 0.473 1.367 0.00 0.00 +0.164 A ATOM 6 C LIG 1 -3.511 0.805 0.240 0.00 0.00 +0.162 A ATOM 7 N LIG 1 -1.630 -0.225 3.776 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 -0.294 -0.211 3.823 0.00 0.00 +0.223 A ATOM 9 C LIG 1 -2.119 0.844 0.301 0.00 0.00 +0.062 A ATOM 10 N LIG 1 0.527 0.134 2.827 0.00 0.00 -0.220 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 0.781 0.915 0.590 0.00 0.00 -0.297 N ATOM 12 H LIG 1 0.451 1.810 0.237 0.00 0.00 +0.154 HD BRANCH 11 16 ATOM 13 C LIG 1 4.872 0.503 0.039 0.00 0.00 +0.222 A ATOM 14 N LIG 1 4.222 1.438 -0.656 0.00 0.00 -0.221 NA ATOM 15 C LIG 1 2.895 1.549 -0.432 0.00 0.00 +0.139 A ATOM 16 C LIG 1 2.175 0.788 0.471 0.00 0.00 +0.069 A ATOM 17 C LIG 1 2.950 -0.171 1.094 0.00 0.00 +0.139 A ATOM 18 N LIG 1 4.284 -0.330 0.910 0.00 0.00 -0.221 NA BRANCH 13 20 ATOM 19 C LIG 1 7.092 1.030 -0.879 0.00 0.00 +0.250 C ATOM 20 N LIG 1 6.234 0.294 -0.103 0.00 0.00 -0.250 N ATOM 21 H LIG 1 6.573 -0.439 0.498 0.00 0.00 +0.158 HD ATOM 22 O LIG 1 6.824 2.027 -1.538 0.00 0.00 -0.270 OA BRANCH 19 26 ATOM 23 C LIG 1 11.200 -0.249 -0.841 0.00 0.00 -0.048 A ATOM 24 C LIG 1 10.174 -1.199 -0.750 0.00 0.00 +0.004 A ATOM 25 C LIG 1 8.834 -0.801 -0.762 0.00 0.00 +0.013 A ATOM 26 C LIG 1 8.507 0.557 -0.862 0.00 0.00 +0.037 A ATOM 27 C LIG 1 9.528 1.507 -0.978 0.00 0.00 +0.013 A ATOM 28 C LIG 1 10.867 1.106 -0.964 0.00 0.00 +0.004 A BRANCH 23 30 ATOM 29 C LIG 1 13.147 -0.953 -2.257 0.00 0.00 +0.009 C ATOM 30 C LIG 1 12.644 -0.682 -0.848 0.00 0.00 +0.032 C ENDBRANCH 23 30 ENDBRANCH 19 26 ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 1 11 BRANCH 6 31 ATOM 31 O LIG 1 -4.099 1.165 -0.945 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -4.471 -0.004 -1.679 0.00 0.00 +0.277 C ENDBRANCH 6 31 BRANCH 5 33 ATOM 33 O LIG 1 -5.626 0.524 1.228 0.00 0.00 -0.488 OA BRANCH 33 34 ATOM 34 C LIG 1 -6.421 0.208 2.369 0.00 0.00 +0.230 C BRANCH 34 35 ATOM 35 C LIG 1 -7.903 0.422 2.058 0.00 0.00 +0.056 C BRANCH 35 36 ATOM 36 C LIG 1 -8.544 -0.707 1.233 0.00 0.00 +0.088 C BRANCH 36 37 ATOM 37 N LIG 1 -8.044 -0.859 -0.139 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 -8.284 0.356 -0.952 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -8.351 0.045 -2.455 0.00 0.00 +0.175 C ATOM 40 O LIG 1 -9.445 -0.819 -2.793 0.00 0.00 -0.377 OA ATOM 41 C LIG 1 -9.794 -1.723 -1.736 0.00 0.00 +0.175 C ATOM 42 C LIG 1 -8.615 -2.049 -0.805 0.00 0.00 +0.112 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 11