REMARK Name = BDB064367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.093 0.134 1.059 0.00 0.00 -0.266 N ATOM 2 C LIG 1 0.352 1.301 1.287 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.798 2.335 1.779 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.092 1.268 0.903 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.784 2.480 0.775 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.147 2.495 0.459 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -3.813 1.272 0.295 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -3.132 0.051 0.433 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -1.754 0.041 0.714 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.955 -1.228 0.859 0.00 0.00 +0.056 C ATOM 11 C LIG 1 0.469 -0.990 0.363 0.00 0.00 +0.118 C ENDROOT BRANCH 1 20 ATOM 12 C LIG 1 4.490 -1.519 -1.197 0.00 0.00 -0.043 A ATOM 13 C LIG 1 3.444 -0.899 -0.514 0.00 0.00 +0.015 A ATOM 14 C LIG 1 3.495 -0.623 0.878 0.00 0.00 +0.026 A ATOM 15 C LIG 1 4.700 -0.895 1.580 0.00 0.00 +0.114 A ATOM 16 N LIG 1 4.826 -0.553 2.883 0.00 0.00 -0.251 NA ATOM 17 C LIG 1 3.824 0.085 3.512 0.00 0.00 +0.113 A ATOM 18 C LIG 1 2.618 0.367 2.921 0.00 0.00 +0.044 A ATOM 19 C LIG 1 5.753 -1.521 0.879 0.00 0.00 +0.146 A ATOM 20 C LIG 1 2.418 -0.024 1.598 0.00 0.00 +0.047 A ATOM 21 C LIG 1 5.635 -1.842 -0.482 0.00 0.00 +0.051 A BRANCH 12 23 ATOM 22 C LIG 1 4.906 -0.606 -3.494 0.00 0.00 +0.009 C ATOM 23 C LIG 1 4.401 -1.785 -2.676 0.00 0.00 +0.032 C ENDBRANCH 12 23 BRANCH 19 24 ATOM 24 O LIG 1 6.986 -1.901 1.367 0.00 0.00 -0.493 OA ATOM 25 C LIG 1 7.382 -1.432 2.649 0.00 0.00 +0.277 C ENDBRANCH 19 24 ENDBRANCH 1 20 BRANCH 8 26 ATOM 26 C LIG 1 -3.888 -1.171 0.265 0.00 0.00 +0.032 A ATOM 27 C LIG 1 -4.402 -1.790 -0.911 0.00 0.00 +0.173 A ATOM 28 N LIG 1 -5.065 -2.924 -0.597 0.00 0.00 -0.167 NA ATOM 29 N LIG 1 -4.982 -3.002 0.743 0.00 0.00 -0.273 N ATOM 30 C LIG 1 -5.604 -4.110 1.428 0.00 0.00 +0.172 C ATOM 31 C LIG 1 -4.287 -1.976 1.308 0.00 0.00 +0.117 A BRANCH 27 32 ATOM 32 C LIG 1 -4.244 -1.285 -2.320 0.00 0.00 +0.437 C ATOM 33 F LIG 1 -4.856 -0.080 -2.488 0.00 0.00 -0.164 F ATOM 34 F LIG 1 -4.759 -2.119 -3.261 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -2.933 -1.102 -2.639 0.00 0.00 -0.164 F ENDBRANCH 27 32 ENDBRANCH 8 26 BRANCH 6 36 ATOM 36 C LIG 1 -3.879 3.801 0.279 0.00 0.00 +0.157 C BRANCH 36 37 ATOM 37 N LIG 1 -3.638 4.362 -1.038 0.00 0.00 -0.332 N ATOM 38 C LIG 1 -4.273 3.999 -2.192 0.00 0.00 +0.199 A ATOM 39 N LIG 1 -3.865 4.722 -3.211 0.00 0.00 -0.244 NA ATOM 40 C LIG 1 -2.930 5.581 -2.695 0.00 0.00 +0.130 A ATOM 41 C LIG 1 -2.776 5.380 -1.342 0.00 0.00 +0.107 A ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 7