REMARK Name = BDB030295 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.410 -0.846 -0.431 0.00 0.00 +0.039 A ATOM 2 C LIG 1 0.498 -1.220 0.563 0.00 0.00 +0.039 A ATOM 3 C LIG 1 1.827 -0.813 0.455 0.00 0.00 +0.051 A ATOM 4 N LIG 1 2.740 -1.183 1.464 0.00 0.00 -0.322 N ATOM 5 H LIG 1 2.432 -1.744 2.248 0.00 0.00 +0.169 HD ATOM 6 C LIG 1 4.080 -0.846 1.476 0.00 0.00 +0.257 A ATOM 7 C LIG 1 4.547 -0.047 0.349 0.00 0.00 +0.054 A ATOM 8 C LIG 1 3.675 0.329 -0.656 0.00 0.00 +0.034 A ATOM 9 S LIG 1 4.442 1.256 -1.860 0.00 0.00 -0.096 S ATOM 10 C LIG 1 5.951 1.165 -1.057 0.00 0.00 +0.046 A ATOM 11 C LIG 1 5.870 0.440 0.112 0.00 0.00 +0.021 A ATOM 12 O LIG 1 4.816 -1.204 2.392 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 2.259 -0.044 -0.649 0.00 0.00 +0.013 A ATOM 14 C LIG 1 1.341 0.299 -1.649 0.00 0.00 +0.012 A ATOM 15 C LIG 1 0.008 -0.108 -1.544 0.00 0.00 +0.014 A ENDROOT BRANCH 1 17 ATOM 16 O LIG 1 -2.003 -2.516 -0.345 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -1.808 -1.304 -0.319 0.00 0.00 +0.247 C ATOM 18 N LIG 1 -2.818 -0.361 -0.172 0.00 0.00 -0.293 N ATOM 19 C LIG 1 -4.205 -0.797 -0.349 0.00 0.00 +0.136 C ATOM 20 C LIG 1 -5.164 -0.021 0.556 0.00 0.00 +0.179 C ATOM 21 O LIG 1 -5.001 1.395 0.387 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 -3.667 1.786 0.739 0.00 0.00 +0.179 C ATOM 23 C LIG 1 -2.630 1.095 -0.154 0.00 0.00 +0.136 C ENDBRANCH 1 17 TORSDOF 1