REMARK Name = BDB035304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.175 -1.392 -0.757 0.00 0.00 +0.144 A ATOM 2 N LIG 1 -2.549 -2.537 -1.373 0.00 0.00 -0.214 NA ATOM 3 C LIG 1 -3.779 -3.036 -1.156 0.00 0.00 +0.135 A ATOM 4 N LIG 1 -4.676 -2.449 -0.352 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 -4.321 -1.294 0.238 0.00 0.00 +0.077 A ATOM 6 C LIG 1 -3.059 -0.750 0.082 0.00 0.00 +0.075 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 3.030 1.613 -0.942 0.00 0.00 +0.031 A ATOM 8 N LIG 1 1.787 1.644 -0.347 0.00 0.00 -0.353 N ATOM 9 H LIG 1 1.466 2.329 0.328 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 1.040 0.584 -0.785 0.00 0.00 +0.113 A ATOM 11 C LIG 1 1.799 -0.118 -1.688 0.00 0.00 +0.010 A ATOM 12 C LIG 1 1.230 -1.277 -2.297 0.00 0.00 -0.018 A ATOM 13 C LIG 1 -0.037 -1.611 -1.962 0.00 0.00 +0.100 A ATOM 14 N LIG 1 -0.835 -0.908 -1.028 0.00 0.00 -0.266 N ATOM 15 C LIG 1 -0.308 0.249 -0.382 0.00 0.00 +0.281 A ATOM 16 O LIG 1 -0.877 0.947 0.453 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 3.047 0.527 -1.806 0.00 0.00 +0.033 A BRANCH 12 18 ATOM 18 C LIG 1 2.045 -1.998 -3.294 0.00 0.00 +0.021 C ATOM 19 C LIG 1 3.279 -2.748 -2.851 0.00 0.00 +0.009 C ATOM 20 C LIG 1 2.070 -3.509 -3.305 0.00 0.00 +0.009 C ENDBRANCH 12 18 BRANCH 7 21 ATOM 21 C LIG 1 4.071 2.646 -0.650 0.00 0.00 +0.137 C BRANCH 21 25 ATOM 22 C LIG 1 8.230 1.839 0.404 0.00 0.00 +0.009 C ATOM 23 C LIG 1 7.071 1.048 1.014 0.00 0.00 +0.000 C ATOM 24 C LIG 1 5.819 1.089 0.111 0.00 0.00 +0.088 C ATOM 25 N LIG 1 5.024 2.279 0.397 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 4.470 2.290 1.754 0.00 0.00 +0.085 C ATOM 27 C LIG 1 5.295 1.472 2.759 0.00 0.00 +0.016 C ATOM 28 C LIG 1 6.782 1.553 2.441 0.00 0.00 +0.006 C ENDBRANCH 21 25 ENDBRANCH 7 21 ENDBRANCH 1 14 BRANCH 5 29 ATOM 29 C LIG 1 -5.351 -0.680 1.101 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -5.692 0.692 1.069 0.00 0.00 +0.049 A ATOM 31 C LIG 1 -6.670 1.221 1.927 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -7.306 0.385 2.832 0.00 0.00 +0.124 A ATOM 33 F LIG 1 -8.234 0.891 3.654 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -7.001 -0.966 2.892 0.00 0.00 +0.039 A ATOM 35 C LIG 1 -6.036 -1.494 2.030 0.00 0.00 +0.013 A BRANCH 30 36 ATOM 36 C LIG 1 -5.094 1.615 0.074 0.00 0.00 +0.248 C ATOM 37 N LIG 1 -4.489 2.750 0.564 0.00 0.00 -0.292 N ATOM 38 C LIG 1 -3.524 3.563 -0.176 0.00 0.00 +0.146 C ATOM 39 C LIG 1 -3.124 4.168 1.178 0.00 0.00 +0.200 C ATOM 40 F LIG 1 -1.798 4.310 1.411 0.00 0.00 -0.242 F ATOM 41 C LIG 1 -3.809 2.959 1.839 0.00 0.00 +0.146 C ATOM 42 O LIG 1 -5.159 1.347 -1.121 0.00 0.00 -0.270 OA ENDBRANCH 30 36 ENDBRANCH 5 29 BRANCH 3 43 ATOM 43 C LIG 1 -4.167 -4.318 -1.851 0.00 0.00 +0.057 C ATOM 44 C LIG 1 -3.278 -5.538 -1.752 0.00 0.00 +0.012 C ATOM 45 C LIG 1 -4.598 -5.520 -1.040 0.00 0.00 +0.012 C ENDBRANCH 3 43 TORSDOF 7