REMARK Name = BDB052268 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.015 2.574 -0.437 0.00 0.00 +0.093 A ATOM 2 C LIG 1 2.376 2.881 -0.747 0.00 0.00 +0.029 A ATOM 3 C LIG 1 2.506 4.238 -0.482 0.00 0.00 +0.066 A ATOM 4 C LIG 1 3.701 4.939 -0.659 0.00 0.00 +0.029 A ATOM 5 C LIG 1 4.808 4.215 -1.124 0.00 0.00 +0.025 A ATOM 6 C LIG 1 4.726 2.849 -1.400 0.00 0.00 +0.034 A ATOM 7 N LIG 1 1.274 4.640 -0.050 0.00 0.00 -0.276 N ATOM 8 H LIG 1 0.994 5.571 0.235 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 3.506 2.175 -1.215 0.00 0.00 +0.035 A ATOM 10 N LIG 1 0.356 3.662 -0.011 0.00 0.00 -0.173 NA ENDROOT BRANCH 6 11 ATOM 11 N LIG 1 5.809 2.077 -1.870 0.00 0.00 -0.285 N ATOM 12 H LIG 1 5.619 1.092 -2.021 0.00 0.00 +0.155 HD ATOM 13 C LIG 1 7.121 2.480 -2.067 0.00 0.00 +0.222 C ATOM 14 O LIG 1 7.576 3.603 -1.868 0.00 0.00 -0.275 OA BRANCH 13 15 ATOM 15 C LIG 1 8.008 1.374 -2.623 0.00 0.00 +0.138 C BRANCH 15 16 ATOM 16 C LIG 1 8.132 0.256 -1.631 0.00 0.00 -0.001 A ATOM 17 S LIG 1 7.299 -1.221 -1.885 0.00 0.00 -0.101 S ATOM 18 C LIG 1 7.910 -1.888 -0.435 0.00 0.00 +0.045 A ATOM 19 C LIG 1 8.734 -1.009 0.231 0.00 0.00 +0.008 A ATOM 20 C LIG 1 8.866 0.229 -0.462 0.00 0.00 +0.011 A ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 11 BRANCH 1 22 ATOM 21 C LIG 1 -0.839 0.970 -0.208 0.00 0.00 +0.010 C ATOM 22 C LIG 1 0.421 1.274 -0.562 0.00 0.00 +0.031 C BRANCH 21 25 ATOM 23 C LIG 1 -2.738 -2.173 0.656 0.00 0.00 -0.033 A ATOM 24 C LIG 1 -2.145 -0.903 0.738 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -1.416 -0.372 -0.335 0.00 0.00 -0.025 A ATOM 26 C LIG 1 -1.299 -1.119 -1.512 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -1.877 -2.385 -1.606 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -2.588 -2.911 -0.527 0.00 0.00 +0.005 A BRANCH 23 29 ATOM 29 C LIG 1 -3.511 -2.741 1.829 0.00 0.00 +0.119 C BRANCH 29 34 ATOM 30 C LIG 1 -9.107 -1.651 1.671 0.00 0.00 +0.105 C ATOM 31 N LIG 1 -7.704 -1.979 1.890 0.00 0.00 -0.303 NA ATOM 32 C LIG 1 -7.241 -3.030 0.963 0.00 0.00 +0.099 C ATOM 33 C LIG 1 -5.704 -3.078 0.732 0.00 0.00 +0.100 C ATOM 34 N LIG 1 -4.953 -2.504 1.846 0.00 0.00 -0.296 NA ATOM 35 C LIG 1 -5.351 -1.115 2.113 0.00 0.00 +0.100 C ATOM 36 C LIG 1 -6.839 -0.797 1.798 0.00 0.00 +0.099 C ENDBRANCH 29 34 ENDBRANCH 23 29 ENDBRANCH 21 25 ENDBRANCH 1 22 TORSDOF 7