REMARK Name = BDB062838 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.153 -5.204 0.269 0.00 0.00 +0.047 C ATOM 2 C LIG 1 0.407 -4.027 0.831 0.00 0.00 -0.010 A ATOM 3 C LIG 1 0.755 -2.708 0.507 0.00 0.00 +0.123 A ATOM 4 N LIG 1 0.105 -1.656 1.039 0.00 0.00 -0.227 NA ATOM 5 C LIG 1 -0.913 -1.891 1.913 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -1.345 -3.165 2.276 0.00 0.00 -0.020 A ATOM 7 C LIG 1 -2.462 -3.408 3.244 0.00 0.00 +0.046 C ATOM 8 C LIG 1 -0.657 -4.243 1.717 0.00 0.00 +0.012 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -1.542 -0.666 2.514 0.00 0.00 +0.265 C ATOM 10 N LIG 1 -1.931 0.386 1.678 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -2.631 1.535 2.258 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -4.016 1.705 1.613 0.00 0.00 +0.124 C ATOM 13 N LIG 1 -3.920 1.896 0.140 0.00 0.00 -0.324 N ATOM 14 C LIG 1 -2.623 1.507 -0.469 0.00 0.00 +0.124 C ATOM 15 C LIG 1 -1.965 0.292 0.212 0.00 0.00 +0.127 C ATOM 16 O LIG 1 -1.724 -0.635 3.731 0.00 0.00 -0.268 OA BRANCH 13 17 ATOM 17 C LIG 1 -5.020 1.418 -0.569 0.00 0.00 +0.074 A ATOM 18 C LIG 1 -5.772 2.254 -1.394 0.00 0.00 +0.090 A ATOM 19 C LIG 1 -6.860 1.826 -2.142 0.00 0.00 +0.039 A ATOM 20 C LIG 1 -7.307 2.986 -2.812 0.00 0.00 +0.144 A ATOM 21 N LIG 1 -6.574 4.065 -2.523 0.00 0.00 -0.181 NA ATOM 22 C LIG 1 -7.237 0.485 -2.079 0.00 0.00 +0.122 A ATOM 23 N LIG 1 -6.542 -0.377 -1.296 0.00 0.00 -0.261 NA ATOM 24 N LIG 1 -5.657 3.592 -1.657 0.00 0.00 -0.275 N ATOM 25 H LIG 1 -4.970 4.227 -1.267 0.00 0.00 +0.189 HD ATOM 26 C LIG 1 -5.487 0.098 -0.583 0.00 0.00 +0.136 A ENDBRANCH 13 17 ENDBRANCH 5 9 BRANCH 3 27 ATOM 27 N LIG 1 1.842 -2.485 -0.356 0.00 0.00 -0.326 N ATOM 28 H LIG 1 1.691 -3.022 -1.206 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 2.205 -1.086 -0.635 0.00 0.00 +0.075 C ATOM 30 C LIG 1 2.944 -0.454 0.559 0.00 0.00 +0.041 C ATOM 31 C LIG 1 4.456 -0.493 0.376 0.00 0.00 +0.107 C ATOM 32 N LIG 1 4.869 0.207 -0.854 0.00 0.00 -0.329 N ATOM 33 C LIG 1 3.902 0.214 -1.964 0.00 0.00 +0.107 C ATOM 34 C LIG 1 3.052 -1.050 -1.918 0.00 0.00 +0.041 C BRANCH 32 35 ATOM 35 C LIG 1 5.575 1.416 -0.725 0.00 0.00 +0.047 A ATOM 36 C LIG 1 6.682 1.707 -1.554 0.00 0.00 +0.073 A ATOM 37 C LIG 1 7.367 2.928 -1.432 0.00 0.00 +0.021 A ATOM 38 C LIG 1 6.966 3.873 -0.492 0.00 0.00 +0.001 A ATOM 39 C LIG 1 5.880 3.603 0.332 0.00 0.00 +0.002 A ATOM 40 C LIG 1 5.194 2.390 0.216 0.00 0.00 +0.024 A BRANCH 36 41 ATOM 41 C LIG 1 7.161 0.760 -2.523 0.00 0.00 +0.101 C ATOM 42 N LIG 1 7.568 0.034 -3.334 0.00 0.00 -0.191 NA ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 3 27 TORSDOF 6