REMARK Name = BDB038483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.616 -0.986 -0.954 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.719 -1.046 -1.371 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.224 -0.867 -2.463 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.523 -1.385 -0.190 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.891 -1.555 -0.091 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.429 -1.879 1.164 0.00 0.00 -0.032 A ATOM 7 C LIG 1 2.565 -2.027 2.275 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.172 -1.851 2.158 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.672 -1.525 0.900 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.736 -1.274 0.469 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.180 -0.341 -1.982 0.00 0.00 -0.015 A ATOM 12 C LIG 1 -3.035 -0.626 -1.208 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -1.748 -0.705 -1.770 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -1.629 -0.496 -3.148 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.751 -0.226 -3.937 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.015 -0.154 -3.359 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 -6.348 0.892 -1.454 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -5.513 -0.247 -1.349 0.00 0.00 -0.007 A ATOM 19 C LIG 1 -5.993 -1.355 -0.618 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -7.253 -1.345 -0.016 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -8.070 -0.229 -0.140 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -7.624 0.877 -0.860 0.00 0.00 +0.012 A BRANCH 17 25 ATOM 23 C LIG 1 -4.003 2.874 -0.766 0.00 0.00 +0.152 C ATOM 24 N LIG 1 -4.923 2.949 -1.868 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -5.965 2.107 -2.174 0.00 0.00 +0.164 A ATOM 26 N LIG 1 -6.602 2.613 -3.216 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 -5.951 3.755 -3.619 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -4.944 3.941 -2.801 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 0.252 -2.005 3.338 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.440 -0.861 3.601 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.691 -2.966 3.132 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.886 -2.337 4.494 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.925 -2.073 1.320 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 5.684 -0.871 0.982 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 5.481 0.233 1.933 0.00 0.00 +0.091 C ATOM 36 C LIG 1 6.715 1.077 1.710 0.00 0.00 -0.015 C ATOM 37 C LIG 1 6.601 2.572 1.510 0.00 0.00 +0.009 C ATOM 38 C LIG 1 7.188 2.035 2.782 0.00 0.00 +0.009 C ATOM 39 C LIG 1 7.705 0.287 0.902 0.00 0.00 +0.023 C ATOM 40 C LIG 1 7.130 -1.122 0.959 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 6