REMARK Name = BDB008257 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.765 0.222 0.000 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.512 0.625 0.256 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.506 -0.232 0.051 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.316 -1.516 -0.425 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.987 -1.943 -0.696 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -2.043 -1.052 -0.475 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.252 -3.305 -1.198 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -1.508 -4.381 -0.288 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -1.790 -5.674 -0.786 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -2.051 -6.729 0.006 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -2.028 -6.547 1.342 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -1.760 -5.337 1.943 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -1.801 -5.875 -2.154 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.542 -4.842 -3.054 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -1.500 -4.248 1.119 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -1.267 -3.552 -2.592 0.00 0.00 -0.042 A ATOM 17 C LIG 1 -0.986 -2.466 -3.598 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.755 2.387 0.681 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.848 1.089 0.201 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.765 0.718 0.003 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -1.725 2.947 1.052 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -4.141 3.091 0.781 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -4.886 3.116 -0.555 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -3.519 5.467 0.504 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -4.011 4.431 1.407 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -3.321 4.335 2.160 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 1.743 0.326 0.367 0.00 0.00 -0.265 N ATOM 28 H LIG 1 1.637 1.259 0.746 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.990 -0.258 0.296 0.00 0.00 +0.268 C ATOM 30 O LIG 1 3.223 -1.408 -0.058 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 4.121 0.642 0.700 0.00 0.00 +0.126 A ATOM 32 N LIG 1 5.096 0.065 1.463 0.00 0.00 -0.250 NA ATOM 33 C LIG 1 6.134 0.842 1.841 0.00 0.00 +0.117 A ATOM 34 C LIG 1 6.217 2.166 1.485 0.00 0.00 +0.002 A ATOM 35 C LIG 1 7.263 3.170 1.769 0.00 0.00 +0.197 C ATOM 36 O LIG 1 6.704 4.414 1.284 0.00 0.00 -0.371 OA ATOM 37 C LIG 1 5.563 4.145 0.434 0.00 0.00 +0.196 C ATOM 38 C LIG 1 5.222 2.729 0.709 0.00 0.00 -0.013 A ATOM 39 C LIG 1 4.144 1.975 0.290 0.00 0.00 +0.039 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6