REMARK Name = BDB039938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.608 1.063 0.867 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.478 0.691 1.666 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.547 0.435 2.854 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.656 0.642 0.790 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.961 0.323 1.117 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.920 0.339 0.094 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.527 0.678 -1.223 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.193 1.004 -1.539 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.265 0.975 -0.502 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.204 1.254 -0.522 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.310 1.711 0.738 0.00 0.00 -0.006 A ATOM 12 C LIG 1 -2.952 1.588 0.371 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.955 1.227 1.291 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.346 1.022 2.617 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.683 1.151 3.005 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.662 1.483 2.072 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.335 2.019 -0.355 0.00 0.00 +0.172 C ATOM 18 F LIG 1 -4.747 2.701 -1.397 0.00 0.00 -0.234 F ATOM 19 C LIG 1 -6.443 2.960 0.139 0.00 0.00 +0.056 C BRANCH 17 20 ATOM 20 C LIG 1 -5.970 0.726 -0.933 0.00 0.00 +0.274 C ATOM 21 F LIG 1 -6.763 0.142 0.017 0.00 0.00 -0.233 F BRANCH 20 24 ATOM 22 C LIG 1 -5.157 -2.049 0.299 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -4.612 -1.439 -0.884 0.00 0.00 -0.318 N ATOM 24 C LIG 1 -4.957 -0.242 -1.461 0.00 0.00 +0.171 A ATOM 25 N LIG 1 -4.217 -0.076 -2.542 0.00 0.00 -0.132 NA ATOM 26 N LIG 1 -3.369 -1.150 -2.656 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -3.619 -1.960 -1.656 0.00 0.00 +0.224 A ENDBRANCH 20 24 ENDBRANCH 17 20 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.781 1.341 -2.948 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.079 0.335 -3.533 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.984 2.443 -3.008 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.834 1.597 -3.773 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.365 -0.008 0.401 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 5.509 -1.405 0.843 0.00 0.00 -0.292 NA ATOM 34 C LIG 1 6.934 -1.708 1.111 0.00 0.00 +0.126 C ATOM 35 C LIG 1 7.077 -2.313 -0.306 0.00 0.00 +0.134 C ATOM 36 F LIG 1 7.648 -1.494 -1.227 0.00 0.00 -0.240 F ATOM 37 C LIG 1 7.749 -3.671 -0.375 0.00 0.00 +0.050 C ATOM 38 C LIG 1 5.530 -2.332 -0.313 0.00 0.00 +0.126 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7