REMARK Name = BDB017646 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.817 1.677 0.184 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -1.631 1.495 1.309 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.756 0.666 1.238 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -3.094 -0.011 0.056 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -4.288 -0.891 0.057 0.00 0.00 +0.045 A ATOM 6 N LIG 1 -4.585 -1.645 -1.077 0.00 0.00 -0.343 N ATOM 7 H LIG 1 -3.761 -1.899 -1.614 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 -5.578 -2.713 -1.021 0.00 0.00 +0.102 C ATOM 9 C LIG 1 -6.764 -2.258 -0.180 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -6.304 -1.806 1.209 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.061 -0.958 1.160 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -4.708 -0.215 2.399 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -5.397 -0.278 3.413 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -2.291 0.199 -1.073 0.00 0.00 +0.012 A ATOM 15 N LIG 1 -3.566 0.532 2.369 0.00 0.00 -0.322 N ATOM 16 H LIG 1 -3.344 1.026 3.222 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -1.167 1.031 -1.009 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 0.392 2.588 0.244 0.00 0.00 +0.120 C BRANCH 18 22 ATOM 19 N LIG 1 4.418 1.166 -0.155 0.00 0.00 -0.309 N ATOM 20 C LIG 1 3.559 1.294 1.045 0.00 0.00 +0.090 C ATOM 21 C LIG 1 2.101 0.868 0.720 0.00 0.00 +0.107 C ATOM 22 N LIG 1 1.617 1.931 -0.221 0.00 0.00 -0.292 NA ATOM 23 C LIG 1 2.780 2.864 -0.295 0.00 0.00 +0.076 C ATOM 24 C LIG 1 3.382 2.811 1.106 0.00 0.00 +0.044 C ATOM 25 C LIG 1 3.909 2.161 -1.123 0.00 0.00 +0.125 C BRANCH 19 29 ATOM 26 C LIG 1 5.617 -2.645 -1.301 0.00 0.00 +0.070 A ATOM 27 C LIG 1 4.978 -2.374 -0.106 0.00 0.00 +0.131 A ATOM 28 N LIG 1 4.578 -1.136 0.275 0.00 0.00 -0.239 NA ATOM 29 C LIG 1 4.801 -0.095 -0.560 0.00 0.00 +0.122 A ATOM 30 C LIG 1 5.460 -0.294 -1.773 0.00 0.00 +0.045 A ATOM 31 C LIG 1 5.867 -1.576 -2.152 0.00 0.00 +0.024 A BRANCH 26 33 ATOM 32 N LIG 1 6.327 -5.058 -1.907 0.00 0.00 -0.191 NA ATOM 33 C LIG 1 6.010 -3.976 -1.635 0.00 0.00 +0.101 C ENDBRANCH 26 33 ENDBRANCH 19 29 ENDBRANCH 18 22 ENDBRANCH 1 18 TORSDOF 4