REMARK Name = BDB049608 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.240 -0.765 -0.689 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -2.019 -2.154 -0.940 0.00 0.00 +0.030 A ATOM 3 C LIG 1 -0.816 -2.500 -0.337 0.00 0.00 +0.146 A ATOM 4 N LIG 1 -0.249 -3.724 -0.304 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 -0.967 -4.668 -0.953 0.00 0.00 +0.216 A ATOM 6 C LIG 1 -2.175 -4.455 -1.600 0.00 0.00 +0.068 A ATOM 7 N LIG 1 -0.281 -1.364 0.223 0.00 0.00 -0.324 N ATOM 8 C LIG 1 -2.727 -3.174 -1.599 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -1.125 -0.287 0.004 0.00 0.00 +0.029 A ATOM 10 C LIG 1 -0.783 1.097 0.445 0.00 0.00 +0.064 C ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -3.408 -0.006 -1.131 0.00 0.00 +0.195 C ATOM 12 O LIG 1 -3.859 -0.121 -2.268 0.00 0.00 -0.287 OA BRANCH 11 16 ATOM 13 C LIG 1 -5.465 2.650 1.552 0.00 0.00 +0.120 A ATOM 14 C LIG 1 -4.791 1.534 2.057 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -4.117 0.657 1.202 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -4.101 0.902 -0.175 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -4.791 2.010 -0.684 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -5.465 2.884 0.177 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 -6.806 4.553 2.037 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -6.078 3.421 2.500 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 O LIG 1 -0.493 -5.968 -1.001 0.00 0.00 -0.480 OA ATOM 22 C LIG 1 0.749 -6.138 -0.326 0.00 0.00 +0.279 C ENDBRANCH 5 21 BRANCH 7 23 ATOM 23 C LIG 1 0.971 -1.356 0.977 0.00 0.00 +0.158 C BRANCH 23 24 ATOM 24 C LIG 1 2.151 -0.912 0.144 0.00 0.00 -0.024 A ATOM 25 C LIG 1 2.885 0.230 0.508 0.00 0.00 +0.054 A ATOM 26 C LIG 1 3.998 0.651 -0.231 0.00 0.00 +0.157 A ATOM 27 C LIG 1 4.375 -0.091 -1.351 0.00 0.00 +0.165 A ATOM 28 F LIG 1 5.420 0.266 -2.112 0.00 0.00 -0.202 F ATOM 29 C LIG 1 3.668 -1.233 -1.722 0.00 0.00 +0.042 A ATOM 30 C LIG 1 2.564 -1.645 -0.977 0.00 0.00 +0.008 A BRANCH 26 31 ATOM 31 O LIG 1 4.588 1.787 0.255 0.00 0.00 -0.475 OA BRANCH 31 32 ATOM 32 C LIG 1 5.823 2.209 -0.316 0.00 0.00 +0.278 C ATOM 33 C LIG 1 6.104 3.601 0.248 0.00 0.00 +0.064 C BRANCH 32 34 ATOM 34 C LIG 1 7.023 1.314 0.038 0.00 0.00 +0.346 C ATOM 35 O LIG 1 7.071 0.547 0.988 0.00 0.00 -0.247 OA BRANCH 34 36 ATOM 36 O LIG 1 8.076 1.467 -0.806 0.00 0.00 -0.478 OA ATOM 37 H LIG 1 7.902 2.056 -1.564 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 10