REMARK Name = BDB020673 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.934 -1.257 0.167 0.00 0.00 +0.001 A ATOM 2 C LIG 1 -2.598 0.079 0.285 0.00 0.00 +0.100 A ATOM 3 N LIG 1 -1.403 0.326 -0.370 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -0.969 -0.895 -0.880 0.00 0.00 +0.048 A ATOM 5 C LIG 1 0.264 -0.928 -1.579 0.00 0.00 +0.039 A ATOM 6 C LIG 1 0.989 0.199 -1.691 0.00 0.00 +0.043 A ATOM 7 C LIG 1 0.530 1.491 -1.155 0.00 0.00 -0.017 A ATOM 8 C LIG 1 1.471 2.651 -1.363 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.679 1.544 -0.522 0.00 0.00 +0.044 A ATOM 10 C LIG 1 -1.892 -1.869 -0.572 0.00 0.00 +0.036 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -5.220 -3.774 1.793 0.00 0.00 +0.121 A ATOM 12 C LIG 1 -4.089 -3.175 1.227 0.00 0.00 +0.054 A ATOM 13 C LIG 1 -4.125 -1.855 0.756 0.00 0.00 -0.013 A ATOM 14 C LIG 1 -5.324 -1.139 0.856 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -6.457 -1.731 1.417 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -6.406 -3.046 1.886 0.00 0.00 +0.045 A BRANCH 11 18 ATOM 17 C LIG 1 -6.146 -5.713 2.813 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -5.032 -5.061 2.216 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 19 ATOM 19 C LIG 1 2.276 0.050 -2.423 0.00 0.00 +0.245 C ATOM 20 N LIG 1 3.353 -0.414 -1.722 0.00 0.00 -0.307 N ATOM 21 H LIG 1 4.214 -0.381 -2.257 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 2.370 0.327 -3.614 0.00 0.00 -0.270 OA BRANCH 20 23 ATOM 23 C LIG 1 3.441 -0.580 -0.281 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 C LIG 1 4.735 -1.251 0.068 0.00 0.00 +0.037 A ATOM 25 C LIG 1 5.752 -0.384 0.745 0.00 0.00 +0.254 A ATOM 26 O LIG 1 5.548 0.799 0.993 0.00 0.00 -0.268 OA ATOM 27 N LIG 1 6.940 -0.983 1.082 0.00 0.00 -0.326 N ATOM 28 H LIG 1 7.615 -0.375 1.530 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 7.242 -2.302 0.854 0.00 0.00 +0.016 A ATOM 30 C LIG 1 8.589 -2.780 1.294 0.00 0.00 +0.063 C ATOM 31 C LIG 1 6.329 -3.083 0.259 0.00 0.00 +0.024 A ATOM 32 C LIG 1 5.034 -2.553 -0.144 0.00 0.00 -0.039 A ATOM 33 C LIG 1 4.117 -3.554 -0.791 0.00 0.00 +0.044 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 6 19 BRANCH 9 34 ATOM 34 C LIG 1 -1.337 2.829 0.011 0.00 0.00 +0.101 C ATOM 35 C LIG 1 -0.785 3.083 1.427 0.00 0.00 +0.031 C BRANCH 34 36 ATOM 36 N LIG 1 -1.204 3.996 -0.894 0.00 0.00 -0.290 NA ATOM 37 C LIG 1 -1.865 3.794 -2.207 0.00 0.00 +0.113 C ATOM 38 C LIG 1 -3.190 4.558 -2.357 0.00 0.00 +0.175 C ATOM 39 O LIG 1 -3.051 5.975 -2.191 0.00 0.00 -0.377 OA ATOM 40 C LIG 1 -1.948 6.334 -1.351 0.00 0.00 +0.175 C ATOM 41 C LIG 1 -1.650 5.267 -0.287 0.00 0.00 +0.113 C ENDBRANCH 34 36 ENDBRANCH 9 34 TORSDOF 7