REMARK Name = BDB008217 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.691 1.004 0.604 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 2.494 2.679 0.605 0.00 0.00 -0.311 N ATOM 3 H LIG 1 2.324 2.717 1.602 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 1.616 1.959 -0.177 0.00 0.00 +0.234 C ATOM 5 O LIG 1 1.569 2.045 -1.405 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 3.395 3.672 0.035 0.00 0.00 +0.070 C ATOM 7 C LIG 1 2.670 5.008 -0.120 0.00 0.00 +0.028 C BRANCH 6 9 ATOM 8 C LIG 1 5.485 2.565 0.973 0.00 0.00 +0.005 C ATOM 9 C LIG 1 4.646 3.835 0.911 0.00 0.00 +0.018 C ENDBRANCH 6 9 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 10 ATOM 10 N LIG 1 -0.286 0.458 -0.332 0.00 0.00 -0.302 N ATOM 11 H LIG 1 -0.135 0.705 -1.306 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 -1.498 -0.038 0.086 0.00 0.00 +0.237 C ATOM 13 O LIG 1 -1.752 -0.178 1.285 0.00 0.00 -0.273 OA BRANCH 12 14 ATOM 14 C LIG 1 -2.464 -0.550 -1.037 0.00 0.00 +0.110 C BRANCH 14 15 ATOM 15 N LIG 1 -3.760 -0.842 -0.381 0.00 0.00 -0.301 N ATOM 16 H LIG 1 -3.737 -1.642 0.238 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 -4.615 0.150 0.070 0.00 0.00 +0.216 C ATOM 18 O LIG 1 -4.480 1.341 -0.186 0.00 0.00 -0.276 OA BRANCH 17 19 ATOM 19 C LIG 1 -5.761 -0.391 0.927 0.00 0.00 +0.069 C ATOM 20 C LIG 1 -6.655 -1.319 0.107 0.00 0.00 +0.017 C ATOM 21 C LIG 1 -6.586 0.749 1.522 0.00 0.00 +0.017 C ENDBRANCH 17 19 ENDBRANCH 14 15 BRANCH 14 22 ATOM 22 C LIG 1 -2.585 0.486 -2.193 0.00 0.00 +0.032 C ATOM 23 C LIG 1 -3.670 0.187 -3.224 0.00 0.00 +0.006 C ENDBRANCH 14 22 BRANCH 14 24 ATOM 24 C LIG 1 -1.877 -1.871 -1.620 0.00 0.00 +0.032 C ATOM 25 C LIG 1 -1.543 -2.959 -0.600 0.00 0.00 +0.006 C ENDBRANCH 14 24 ENDBRANCH 12 14 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 C LIG 1 1.478 -0.098 1.331 0.00 0.00 +0.033 C BRANCH 26 27 ATOM 27 C LIG 1 2.284 -1.002 0.390 0.00 0.00 +0.023 C BRANCH 27 28 ATOM 28 C LIG 1 3.013 -2.096 1.169 0.00 0.00 +0.115 C BRANCH 28 29 ATOM 29 N LIG 1 3.802 -2.903 0.250 0.00 0.00 -0.356 N ATOM 30 H LIG 1 3.269 -3.224 -0.550 0.00 0.00 +0.162 HD BRANCH 29 31 ATOM 31 C LIG 1 4.636 -3.858 0.722 0.00 0.00 +0.188 C ATOM 32 N LIG 1 4.923 -4.043 1.956 0.00 0.00 -0.269 NA ATOM 33 H LIG 1 5.557 -4.836 2.049 0.00 0.00 +0.190 HD BRANCH 31 34 ATOM 34 N LIG 1 5.149 -4.598 -0.281 0.00 0.00 -0.370 N ATOM 35 H LIG 1 5.957 -5.148 -0.022 0.00 0.00 +0.159 HD ATOM 36 H LIG 1 5.349 -4.039 -1.103 0.00 0.00 +0.159 HD ENDBRANCH 31 34 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 15