REMARK Name = BDB019867 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.785 0.087 0.110 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.848 -1.060 -0.691 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -1.950 -1.919 -0.610 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -3.005 -1.605 0.258 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -2.964 -0.450 1.055 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.845 0.393 0.971 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.019 -3.120 -1.437 0.00 0.00 +0.069 A ATOM 8 N LIG 1 -1.101 -4.147 -1.431 0.00 0.00 -0.267 N ATOM 9 C LIG 1 0.074 -4.279 -0.600 0.00 0.00 +0.173 C ATOM 10 N LIG 1 -1.391 -5.133 -2.305 0.00 0.00 -0.179 NA ATOM 11 C LIG 1 -2.537 -4.740 -2.860 0.00 0.00 +0.135 A ATOM 12 C LIG 1 -2.979 -3.507 -2.354 0.00 0.00 +0.049 A ENDBRANCH 3 7 BRANCH 1 15 ATOM 13 N LIG 1 1.584 0.440 -0.269 0.00 0.00 -0.303 N ATOM 14 H LIG 1 1.702 -0.562 -0.353 0.00 0.00 +0.150 HD ATOM 15 C LIG 1 0.381 1.011 0.054 0.00 0.00 +0.245 C ATOM 16 O LIG 1 0.248 2.202 0.312 0.00 0.00 -0.270 OA BRANCH 13 17 ATOM 17 C LIG 1 2.825 1.190 -0.343 0.00 0.00 +0.125 C BRANCH 17 21 ATOM 18 C LIG 1 7.496 0.460 1.428 0.00 0.00 +0.044 C ATOM 19 C LIG 1 6.237 -0.066 0.807 0.00 0.00 -0.047 A ATOM 20 C LIG 1 5.168 0.790 0.529 0.00 0.00 +0.028 A ATOM 21 C LIG 1 3.998 0.265 -0.023 0.00 0.00 +0.062 A ATOM 22 N LIG 1 3.846 -1.067 -0.285 0.00 0.00 -0.258 NA ATOM 23 C LIG 1 4.890 -1.873 0.005 0.00 0.00 +0.111 A ATOM 24 C LIG 1 6.085 -1.428 0.548 0.00 0.00 +0.023 A ENDBRANCH 17 21 BRANCH 17 25 ATOM 25 C LIG 1 2.900 1.844 -1.705 0.00 0.00 +0.015 C ATOM 26 C LIG 1 4.137 1.929 -2.575 0.00 0.00 +0.006 C ATOM 27 C LIG 1 3.002 1.028 -2.976 0.00 0.00 +0.006 C ENDBRANCH 17 25 ENDBRANCH 13 17 ENDBRANCH 1 15 BRANCH 5 28 ATOM 28 C LIG 1 -4.111 -0.112 1.984 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 N LIG 1 -4.830 1.059 1.531 0.00 0.00 -0.313 N ATOM 30 C LIG 1 -4.676 2.324 2.100 0.00 0.00 +0.204 A ATOM 31 N LIG 1 -3.954 2.623 3.120 0.00 0.00 -0.268 NA ATOM 32 H LIG 1 -4.031 3.624 3.300 0.00 0.00 +0.190 HD ATOM 33 N LIG 1 -5.469 3.160 1.306 0.00 0.00 -0.320 N ATOM 34 C LIG 1 -5.506 4.597 1.405 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -6.035 2.418 0.275 0.00 0.00 +0.106 A ATOM 36 C LIG 1 -5.653 1.141 0.416 0.00 0.00 +0.107 A ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7