REMARK Name = BDB031789 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.862 2.181 -1.765 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.256 0.989 -2.207 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.036 0.605 -1.639 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.622 1.350 -0.671 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.809 0.607 -0.368 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.875 -0.504 -1.108 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.036 2.555 -0.243 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.761 -0.484 -1.848 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.600 -1.253 -2.487 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.191 2.950 -0.799 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.365 -1.238 0.197 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.029 0.049 -0.248 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.588 0.534 -1.421 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.457 1.829 -2.171 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.182 2.629 -2.349 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.405 1.673 -3.338 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -5.961 0.410 -3.244 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.636 0.062 -3.907 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -5.619 2.517 -4.192 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.296 3.141 -1.458 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.496 -0.275 -2.119 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -5.854 -1.542 -1.711 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.273 -2.026 -0.534 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.982 -2.931 1.828 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.746 -1.609 1.361 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 2.705 1.047 0.545 0.00 0.00 -0.279 N ATOM 27 H LIG 1 2.502 1.892 1.065 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 3.826 0.393 1.113 0.00 0.00 +0.170 A ATOM 29 C LIG 1 4.644 1.135 1.970 0.00 0.00 +0.178 A ATOM 30 C LIG 1 5.740 0.466 2.476 0.00 0.00 +0.162 A ATOM 31 N LIG 1 6.042 -0.816 2.187 0.00 0.00 -0.236 NA ATOM 32 C LIG 1 5.198 -1.446 1.354 0.00 0.00 +0.139 A ATOM 33 N LIG 1 4.110 -0.887 0.806 0.00 0.00 -0.213 NA BRANCH 32 34 ATOM 34 C LIG 1 5.517 -2.899 0.968 0.00 0.00 +0.108 C ATOM 35 C LIG 1 5.907 -3.890 2.072 0.00 0.00 +0.173 C ATOM 36 O LIG 1 5.031 -4.906 1.515 0.00 0.00 -0.378 OA ATOM 37 C LIG 1 4.361 -3.881 0.732 0.00 0.00 +0.173 C ENDBRANCH 32 34 BRANCH 29 38 ATOM 38 O LIG 1 4.276 2.427 2.234 0.00 0.00 -0.490 OA ATOM 39 C LIG 1 5.167 3.188 3.043 0.00 0.00 +0.277 C ENDBRANCH 29 38 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6