REMARK Name = BDB013889 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.082 0.143 -0.692 0.00 0.00 +0.160 C ATOM 2 C LIG 1 1.107 0.017 0.496 0.00 0.00 +0.240 C ATOM 3 O LIG 1 1.550 0.023 1.651 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.259 -0.084 0.202 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.731 -0.396 -1.116 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -0.085 -1.357 -1.922 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -0.573 -1.626 -3.212 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -1.688 -0.953 -3.705 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -2.319 0.004 -2.920 0.00 0.00 +0.002 A ATOM 10 C LIG 1 1.116 -2.115 -1.426 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -1.838 0.284 -1.639 0.00 0.00 +0.024 A ATOM 12 C LIG 1 2.347 -1.221 -1.336 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.256 1.328 -0.997 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.328 0.714 -0.181 0.00 0.00 -0.303 N ATOM 15 H LIG 1 3.446 0.721 0.828 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 4.092 1.452 -2.207 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 5.493 1.846 -0.222 0.00 0.00 +0.137 C ATOM 18 C LIG 1 6.434 2.599 -1.159 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 7.017 1.082 1.526 0.00 0.00 +0.101 C ATOM 20 N LIG 1 6.177 0.690 0.403 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 5.482 0.016 0.724 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -1.169 -0.346 1.337 0.00 0.00 +0.150 C BRANCH 22 23 ATOM 23 C LIG 1 -2.394 0.545 1.472 0.00 0.00 -0.007 A ATOM 24 C LIG 1 -2.269 1.914 1.873 0.00 0.00 -0.012 A ATOM 25 C LIG 1 -3.440 2.710 1.981 0.00 0.00 -0.018 A ATOM 26 C LIG 1 -3.351 4.059 2.361 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -2.121 4.646 2.647 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -0.965 3.886 2.561 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -4.694 2.153 1.710 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -4.815 0.820 1.333 0.00 0.00 +0.018 A ATOM 31 C LIG 1 -1.039 2.542 2.182 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -3.681 0.017 1.212 0.00 0.00 +0.030 A BRANCH 32 33 ATOM 33 C LIG 1 -3.880 -1.337 0.783 0.00 0.00 -0.063 C ATOM 34 C LIG 1 -4.034 -2.464 0.396 0.00 0.00 -0.058 C BRANCH 34 35 ATOM 35 C LIG 1 -4.191 -3.814 -0.097 0.00 0.00 +0.173 C ATOM 36 C LIG 1 -3.356 -4.891 0.629 0.00 0.00 +0.210 C ATOM 37 O LIG 1 -2.864 -5.408 -0.638 0.00 0.00 -0.372 OA ATOM 38 C LIG 1 -3.300 -4.189 -1.301 0.00 0.00 +0.210 C BRANCH 35 39 ATOM 39 O LIG 1 -5.606 -4.090 -0.237 0.00 0.00 -0.372 OA ATOM 40 H LIG 1 -5.641 -5.001 -0.578 0.00 0.00 +0.212 HD ENDBRANCH 35 39 ENDBRANCH 34 35 ENDBRANCH 32 33 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8