REMARK Name = BDB056033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.551 0.262 2.420 0.00 0.00 +0.094 A ATOM 2 N LIG 1 0.843 0.417 3.554 0.00 0.00 -0.172 NA ATOM 3 N LIG 1 -0.435 0.300 3.172 0.00 0.00 -0.263 N ATOM 4 H LIG 1 -1.149 0.388 3.884 0.00 0.00 +0.190 HD ATOM 5 C LIG 1 -0.604 0.071 1.836 0.00 0.00 +0.121 A ATOM 6 C LIG 1 0.671 0.041 1.322 0.00 0.00 +0.073 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 5.852 0.457 2.422 0.00 0.00 +0.035 A ATOM 8 C LIG 1 5.126 0.593 3.610 0.00 0.00 +0.024 A ATOM 9 C LIG 1 3.727 0.531 3.605 0.00 0.00 +0.012 A ATOM 10 C LIG 1 3.018 0.327 2.414 0.00 0.00 +0.002 A ATOM 11 C LIG 1 3.752 0.186 1.229 0.00 0.00 +0.012 A ATOM 12 C LIG 1 5.154 0.249 1.234 0.00 0.00 +0.024 A BRANCH 7 16 ATOM 13 N LIG 1 9.465 0.510 1.986 0.00 0.00 -0.248 N ATOM 14 H LIG 1 9.607 0.252 2.948 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 8.182 0.532 1.477 0.00 0.00 +0.310 C ATOM 16 N LIG 1 7.258 0.524 2.516 0.00 0.00 -0.269 N ATOM 17 H LIG 1 7.627 0.694 3.439 0.00 0.00 +0.156 HD ATOM 18 O LIG 1 7.890 0.555 0.289 0.00 0.00 -0.252 OA BRANCH 13 22 ATOM 19 C LIG 1 13.247 1.076 -1.534 0.00 0.00 +0.053 C ATOM 20 C LIG 1 12.425 0.849 -0.320 0.00 0.00 +0.008 A ATOM 21 S LIG 1 10.717 0.976 -0.373 0.00 0.00 -0.057 S ATOM 22 C LIG 1 10.638 0.581 1.281 0.00 0.00 +0.166 A ATOM 23 N LIG 1 11.790 0.382 1.880 0.00 0.00 -0.233 NA ATOM 24 C LIG 1 12.815 0.526 0.963 0.00 0.00 +0.124 A ENDBRANCH 13 22 ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 5 25 ATOM 25 N LIG 1 -1.856 -0.081 1.270 0.00 0.00 -0.267 N ATOM 26 H LIG 1 -2.670 0.007 1.864 0.00 0.00 +0.157 HD ATOM 27 C LIG 1 -2.040 -0.259 -0.093 0.00 0.00 +0.249 C ATOM 28 O LIG 1 -1.167 -0.253 -0.953 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 -3.458 -0.430 -0.518 0.00 0.00 +0.037 A ATOM 30 C LIG 1 -3.849 0.071 -1.761 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -5.173 -0.069 -2.198 0.00 0.00 +0.024 A ATOM 32 C LIG 1 -6.142 -0.708 -1.411 0.00 0.00 +0.030 A ATOM 33 C LIG 1 -5.716 -1.234 -0.178 0.00 0.00 +0.024 A ATOM 34 C LIG 1 -4.394 -1.103 0.269 0.00 0.00 +0.015 A BRANCH 32 35 ATOM 35 N LIG 1 -7.474 -0.882 -1.812 0.00 0.00 -0.327 N ATOM 36 C LIG 1 -7.809 -0.666 -3.236 0.00 0.00 +0.120 C ATOM 37 C LIG 1 -9.255 -1.126 -3.541 0.00 0.00 +0.103 C ATOM 38 N LIG 1 -10.301 -0.547 -2.669 0.00 0.00 -0.302 NA ATOM 39 C LIG 1 -10.530 0.866 -2.963 0.00 0.00 +0.105 C ATOM 40 C LIG 1 -9.908 -0.755 -1.258 0.00 0.00 +0.103 C ATOM 41 C LIG 1 -8.475 -0.301 -0.885 0.00 0.00 +0.120 C ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 5 25 TORSDOF 6