REMARK Name = BDB017164 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.421 -0.700 0.191 0.00 0.00 +0.018 A ATOM 2 C LIG 1 1.059 -0.498 -1.040 0.00 0.00 +0.020 A ATOM 3 C LIG 1 2.433 -0.218 -1.103 0.00 0.00 -0.017 A ATOM 4 C LIG 1 3.184 -0.148 0.092 0.00 0.00 -0.014 A ATOM 5 C LIG 1 4.562 0.134 0.029 0.00 0.00 +0.054 A ATOM 6 C LIG 1 5.194 0.345 -1.198 0.00 0.00 +0.121 A ATOM 7 C LIG 1 4.445 0.273 -2.372 0.00 0.00 +0.046 A ATOM 8 C LIG 1 2.537 -0.367 1.319 0.00 0.00 +0.009 A ATOM 9 C LIG 1 3.078 -0.006 -2.329 0.00 0.00 +0.012 A ATOM 10 C LIG 1 1.167 -0.645 1.370 0.00 0.00 +0.012 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -1.043 -0.998 0.185 0.00 0.00 +0.167 C ATOM 12 O LIG 1 -1.493 -1.586 -0.797 0.00 0.00 -0.292 OA BRANCH 11 15 ATOM 13 N LIG 1 -4.308 -0.185 0.553 0.00 0.00 -0.302 NA ATOM 14 C LIG 1 -3.371 -1.073 1.266 0.00 0.00 +0.095 C ATOM 15 C LIG 1 -1.901 -0.615 1.397 0.00 0.00 +0.074 C ATOM 16 C LIG 1 -1.814 0.872 1.768 0.00 0.00 +0.014 C ATOM 17 C LIG 1 -2.753 1.736 0.935 0.00 0.00 +0.016 C ATOM 18 C LIG 1 -4.183 1.204 1.001 0.00 0.00 +0.084 C BRANCH 13 20 ATOM 19 C LIG 1 -5.466 0.203 -1.618 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -4.235 -0.352 -0.905 0.00 0.00 +0.081 C ENDBRANCH 13 20 ENDBRANCH 11 15 ENDBRANCH 1 11 BRANCH 6 21 ATOM 21 O LIG 1 6.520 0.625 -1.384 0.00 0.00 -0.495 OA ATOM 22 C LIG 1 7.335 0.698 -0.222 0.00 0.00 +0.277 C ENDBRANCH 6 21 TORSDOF 4