REMARK Name = BDB050790 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.358 2.349 -1.672 0.00 0.00 +0.196 A ATOM 2 N LIG 1 -0.424 1.294 -1.408 0.00 0.00 -0.207 NA ATOM 3 C LIG 1 -1.406 1.452 -0.511 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.613 2.682 0.088 0.00 0.00 +0.087 A ATOM 5 C LIG 1 -0.762 3.725 -0.235 0.00 0.00 +0.130 A ATOM 6 N LIG 1 0.223 3.568 -1.134 0.00 0.00 -0.206 NA ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.241 0.371 -0.222 0.00 0.00 -0.313 N ATOM 8 C LIG 1 -2.038 -0.828 -1.043 0.00 0.00 +0.122 C ATOM 9 C LIG 1 -3.164 -1.866 -0.794 0.00 0.00 +0.104 C ATOM 10 N LIG 1 -3.521 -2.124 0.621 0.00 0.00 -0.295 NA ATOM 11 C LIG 1 -2.629 -1.395 1.536 0.00 0.00 +0.104 C ATOM 12 C LIG 1 -2.535 0.117 1.201 0.00 0.00 +0.122 C BRANCH 10 13 ATOM 13 C LIG 1 -3.836 -3.530 0.964 0.00 0.00 +0.014 C ATOM 14 C LIG 1 -2.604 -4.455 0.895 0.00 0.00 +0.027 C ATOM 15 C LIG 1 -4.928 -4.073 0.011 0.00 0.00 +0.027 C ATOM 16 C LIG 1 -4.425 -3.620 2.392 0.00 0.00 +0.027 C ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 5 17 ATOM 17 N LIG 1 -1.006 4.993 0.348 0.00 0.00 -0.285 N ATOM 18 H LIG 1 -1.472 4.931 1.248 0.00 0.00 +0.155 HD BRANCH 17 19 ATOM 19 C LIG 1 -0.352 6.145 0.057 0.00 0.00 +0.120 A ATOM 20 N LIG 1 0.509 6.277 -1.001 0.00 0.00 -0.264 N ATOM 21 H LIG 1 0.775 5.546 -1.655 0.00 0.00 +0.190 HD ATOM 22 N LIG 1 1.042 7.508 -1.119 0.00 0.00 -0.178 NA ATOM 23 C LIG 1 0.506 8.185 -0.095 0.00 0.00 +0.062 A ATOM 24 C LIG 1 0.852 9.608 0.122 0.00 0.00 +0.067 C ATOM 25 C LIG 1 -0.373 7.377 0.667 0.00 0.00 +0.068 A ENDBRANCH 17 19 ENDBRANCH 5 17 BRANCH 1 26 ATOM 26 S LIG 1 1.685 2.131 -2.837 0.00 0.00 -0.050 S BRANCH 26 30 ATOM 27 C LIG 1 3.644 -1.667 -1.130 0.00 0.00 +0.033 A ATOM 28 C LIG 1 3.812 -0.437 -0.491 0.00 0.00 +0.024 A ATOM 29 C LIG 1 3.221 0.722 -1.012 0.00 0.00 +0.017 A ATOM 30 C LIG 1 2.449 0.663 -2.175 0.00 0.00 +0.016 A ATOM 31 C LIG 1 2.291 -0.563 -2.825 0.00 0.00 +0.017 A ATOM 32 C LIG 1 2.884 -1.718 -2.305 0.00 0.00 +0.024 A BRANCH 27 34 ATOM 33 C LIG 1 4.950 -3.084 0.479 0.00 0.00 +0.217 C ATOM 34 N LIG 1 4.197 -2.880 -0.668 0.00 0.00 -0.286 N ATOM 35 H LIG 1 4.012 -3.695 -1.238 0.00 0.00 +0.155 HD ATOM 36 O LIG 1 5.264 -2.237 1.307 0.00 0.00 -0.275 OA BRANCH 33 38 ATOM 37 C LIG 1 6.195 -4.803 1.857 0.00 0.00 +0.013 C ATOM 38 C LIG 1 5.361 -4.543 0.614 0.00 0.00 +0.093 C ENDBRANCH 33 38 ENDBRANCH 27 34 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 8