REMARK Name = BDB064277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.780 -1.265 -0.906 0.00 0.00 +0.125 A ATOM 2 N LIG 1 -0.878 -0.544 -1.618 0.00 0.00 -0.239 NA ATOM 3 C LIG 1 0.343 -1.088 -1.847 0.00 0.00 +0.126 A ATOM 4 C LIG 1 0.736 -2.322 -1.363 0.00 0.00 +0.055 A ATOM 5 C LIG 1 -0.194 -3.071 -0.656 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -1.461 -2.531 -0.421 0.00 0.00 +0.044 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.075 -2.864 -1.652 0.00 0.00 +0.248 C ATOM 8 N LIG 1 3.196 -2.072 -1.387 0.00 0.00 -0.294 N ATOM 9 C LIG 1 4.499 -2.657 -1.718 0.00 0.00 +0.127 C ATOM 10 C LIG 1 5.587 -1.595 -1.902 0.00 0.00 +0.130 C ATOM 11 N LIG 1 5.613 -0.621 -0.811 0.00 0.00 -0.264 N ATOM 12 C LIG 1 6.805 0.037 -0.555 0.00 0.00 +0.403 C ATOM 13 O LIG 1 7.875 -0.284 -1.055 0.00 0.00 -0.226 OA ATOM 14 C LIG 1 4.317 -0.052 -0.437 0.00 0.00 +0.130 C ATOM 15 C LIG 1 3.236 -1.125 -0.262 0.00 0.00 +0.127 C ATOM 16 O LIG 1 2.139 -3.989 -2.139 0.00 0.00 -0.270 OA BRANCH 12 17 ATOM 17 O LIG 1 6.643 1.070 0.311 0.00 0.00 -0.445 OA BRANCH 17 18 ATOM 18 C LIG 1 7.767 1.891 0.718 0.00 0.00 +0.107 C ATOM 19 C LIG 1 8.375 2.637 -0.475 0.00 0.00 +0.055 C ATOM 20 C LIG 1 7.163 2.923 1.684 0.00 0.00 +0.055 C ATOM 21 C LIG 1 8.814 1.068 1.476 0.00 0.00 +0.055 C ENDBRANCH 17 18 ENDBRANCH 12 17 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 N LIG 1 -2.998 -0.643 -0.719 0.00 0.00 -0.268 N ATOM 23 H LIG 1 -3.051 0.264 -1.155 0.00 0.00 +0.156 HD BRANCH 22 28 ATOM 24 C LIG 1 -7.859 -1.837 1.815 0.00 0.00 +0.047 C ATOM 25 C LIG 1 -6.575 -1.502 1.131 0.00 0.00 -0.006 A ATOM 26 C LIG 1 -6.341 -0.329 0.431 0.00 0.00 +0.079 A ATOM 27 N LIG 1 -5.152 -0.061 -0.157 0.00 0.00 -0.214 NA ATOM 28 C LIG 1 -4.181 -0.982 -0.086 0.00 0.00 +0.221 A ATOM 29 N LIG 1 -4.331 -2.149 0.549 0.00 0.00 -0.222 NA ATOM 30 C LIG 1 -5.517 -2.385 1.139 0.00 0.00 +0.120 A BRANCH 26 31 ATOM 31 C LIG 1 -7.339 0.740 0.269 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -7.078 2.026 0.781 0.00 0.00 +0.027 A ATOM 33 C LIG 1 -8.039 3.039 0.619 0.00 0.00 +0.040 A ATOM 34 C LIG 1 -9.246 2.812 -0.044 0.00 0.00 +0.078 A ATOM 35 N LIG 1 -10.097 3.902 -0.123 0.00 0.00 -0.247 NA ATOM 36 C LIG 1 -9.538 4.935 0.464 0.00 0.00 +0.157 A ATOM 37 C LIG 1 -9.496 1.530 -0.569 0.00 0.00 +0.029 A ATOM 38 S LIG 1 -7.988 4.680 1.145 0.00 0.00 -0.075 S ATOM 39 C LIG 1 -8.543 0.514 -0.412 0.00 0.00 +0.012 A ENDBRANCH 26 31 ENDBRANCH 22 28 ENDBRANCH 1 22 TORSDOF 6