REMARK Name = BDB008145 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.703 0.671 -0.045 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.366 -0.646 -0.343 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.509 0.055 0.477 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.894 0.469 1.319 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.106 -0.899 -1.521 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 2.681 -1.098 0.323 0.00 0.00 +0.156 C ATOM 7 C LIG 1 3.580 0.103 0.600 0.00 0.00 +0.038 C BRANCH 6 10 ATOM 8 C LIG 1 4.718 -3.934 -1.167 0.00 0.00 +0.109 C ATOM 9 C LIG 1 4.281 -2.932 -0.133 0.00 0.00 +0.211 C ATOM 10 N LIG 1 3.330 -2.048 -0.573 0.00 0.00 -0.304 N ATOM 11 H LIG 1 2.848 -2.222 -1.450 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 4.749 -2.922 1.001 0.00 0.00 -0.276 OA ENDBRANCH 6 10 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 13 ATOM 13 C LIG 1 -0.434 2.183 -0.198 0.00 0.00 +0.234 C ATOM 14 N LIG 1 -1.300 2.836 -1.052 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -2.181 2.372 -1.245 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 0.451 2.764 0.430 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 -1.358 4.292 -1.056 0.00 0.00 +0.156 C ATOM 18 C LIG 1 -1.736 4.814 -2.434 0.00 0.00 +0.038 C BRANCH 17 19 ATOM 19 C LIG 1 -2.414 4.721 -0.022 0.00 0.00 +0.231 C ATOM 20 O LIG 1 -3.308 3.979 0.380 0.00 0.00 -0.274 OA ATOM 21 N LIG 1 -2.352 6.022 0.390 0.00 0.00 -0.328 N ATOM 22 H LIG 1 -2.983 6.275 1.141 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -1.481 6.535 0.339 0.00 0.00 +0.145 HD ENDBRANCH 17 19 ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 1 24 ATOM 24 C LIG 1 -1.894 0.450 0.898 0.00 0.00 +0.033 C BRANCH 24 25 ATOM 25 C LIG 1 -2.097 -1.002 1.349 0.00 0.00 +0.021 C BRANCH 25 26 ATOM 26 C LIG 1 -2.292 -1.986 0.196 0.00 0.00 +0.106 C BRANCH 26 27 ATOM 27 N LIG 1 -2.425 -3.348 0.673 0.00 0.00 -0.300 N ATOM 28 H LIG 1 -3.281 -3.597 1.145 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 -1.325 -4.055 1.063 0.00 0.00 +0.297 C ATOM 30 O LIG 1 -0.166 -3.678 0.997 0.00 0.00 -0.253 OA ATOM 31 N LIG 1 -1.654 -5.276 1.555 0.00 0.00 -0.313 N ATOM 32 H LIG 1 -2.388 -5.760 1.059 0.00 0.00 +0.146 HD ATOM 33 H LIG 1 -0.837 -5.848 1.734 0.00 0.00 +0.146 HD ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 10