REMARK Name = BDB010364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.540 0.543 0.645 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.454 1.382 0.392 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.438 2.660 0.933 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.705 3.329 0.627 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.381 2.530 -0.164 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.424 3.183 1.678 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.443 2.341 1.828 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.732 1.313 -0.314 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.553 1.075 1.361 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.610 2.818 2.604 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.667 2.004 2.753 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.771 1.075 2.382 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.572 2.668 3.482 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.667 2.247 3.821 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.061 3.905 3.787 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.761 3.964 3.186 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -1.629 -0.768 0.203 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -0.733 -1.229 0.134 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -2.279 -2.149 2.119 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -2.684 -1.633 0.736 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -2.866 -2.828 -0.218 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -3.415 -2.497 -1.635 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -4.822 -2.845 -1.117 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -4.144 -3.694 -0.025 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 N LIG 1 2.582 2.817 -0.748 0.00 0.00 -0.298 N ATOM 26 C LIG 1 3.377 3.810 -0.014 0.00 0.00 +0.132 C BRANCH 25 27 ATOM 27 C LIG 1 2.583 3.050 -2.217 0.00 0.00 +0.163 C BRANCH 27 28 ATOM 28 C LIG 1 1.303 3.455 -2.909 0.00 0.00 +0.066 A ATOM 29 N LIG 1 0.749 2.602 -3.859 0.00 0.00 -0.251 NA ATOM 30 C LIG 1 -0.366 3.125 -4.322 0.00 0.00 +0.156 A ATOM 31 S LIG 1 -0.821 4.641 -3.668 0.00 0.00 -0.084 S ATOM 32 C LIG 1 0.579 4.613 -2.681 0.00 0.00 +0.071 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 33 ATOM 33 C LIG 1 1.235 0.190 -1.083 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 2.416 -0.549 -0.424 0.00 0.00 +0.009 C ATOM 35 C LIG 1 3.008 -1.567 -1.412 0.00 0.00 +0.005 C ATOM 36 C LIG 1 4.181 -2.333 -0.804 0.00 0.00 +0.003 C ATOM 37 C LIG 1 3.791 -3.020 0.510 0.00 0.00 -0.014 C ATOM 38 C LIG 1 4.994 -3.731 1.126 0.00 0.00 +0.007 C ATOM 39 C LIG 1 3.195 -2.009 1.496 0.00 0.00 +0.003 C ATOM 40 C LIG 1 2.018 -1.251 0.883 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 9