REMARK Name = BDB059761 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.054 -1.495 1.255 0.00 0.00 -0.044 A ATOM 2 C LIG 1 1.250 -0.109 1.311 0.00 0.00 +0.006 A ATOM 3 C LIG 1 2.534 0.428 1.184 0.00 0.00 +0.030 A ATOM 4 C LIG 1 3.640 -0.403 0.986 0.00 0.00 +0.086 A ATOM 5 C LIG 1 3.443 -1.788 0.940 0.00 0.00 +0.030 A ATOM 6 C LIG 1 2.161 -2.331 1.067 0.00 0.00 +0.006 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 4.922 0.170 0.891 0.00 0.00 -0.149 NA ATOM 8 N LIG 1 5.444 -0.097 -0.214 0.00 0.00 -0.149 NA BRANCH 8 9 ATOM 9 C LIG 1 6.720 0.485 -0.312 0.00 0.00 +0.086 A ATOM 10 C LIG 1 7.763 0.134 0.555 0.00 0.00 +0.030 A ATOM 11 C LIG 1 9.031 0.707 0.416 0.00 0.00 +0.014 A ATOM 12 C LIG 1 9.285 1.632 -0.608 0.00 0.00 +0.055 A ATOM 13 C LIG 1 8.242 1.980 -1.479 0.00 0.00 +0.014 A ATOM 14 C LIG 1 6.976 1.404 -1.335 0.00 0.00 +0.030 A BRANCH 12 15 ATOM 15 C LIG 1 10.647 2.270 -0.747 0.00 0.00 +0.417 C ATOM 16 F LIG 1 10.755 3.421 -0.027 0.00 0.00 -0.166 F ATOM 17 F LIG 1 11.660 1.465 -0.321 0.00 0.00 -0.166 F ATOM 18 F LIG 1 10.952 2.602 -2.032 0.00 0.00 -0.166 F ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 4 7 BRANCH 1 19 ATOM 19 C LIG 1 -0.332 -2.076 1.369 0.00 0.00 +0.076 C BRANCH 19 20 ATOM 20 C LIG 1 -0.977 -2.291 -0.001 0.00 0.00 +0.233 C BRANCH 20 21 ATOM 21 O LIG 1 -2.284 -2.850 0.137 0.00 0.00 -0.492 OA BRANCH 21 25 ATOM 22 C LIG 1 -5.705 -0.524 0.607 0.00 0.00 +0.122 A ATOM 23 C LIG 1 -5.761 -1.914 0.543 0.00 0.00 +0.049 A ATOM 24 C LIG 1 -4.587 -2.650 0.376 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -3.348 -2.008 0.296 0.00 0.00 +0.121 A ATOM 26 C LIG 1 -3.297 -0.617 0.401 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -4.474 0.123 0.565 0.00 0.00 +0.049 A BRANCH 22 28 ATOM 28 O LIG 1 -6.877 0.149 0.800 0.00 0.00 -0.475 OA BRANCH 28 30 ATOM 29 C LIG 1 -7.276 0.164 -1.658 0.00 0.00 +0.067 C ATOM 30 C LIG 1 -7.374 0.914 -0.316 0.00 0.00 +0.200 C ATOM 31 C LIG 1 -8.864 1.124 0.007 0.00 0.00 +0.067 C BRANCH 30 32 ATOM 32 C LIG 1 -6.761 2.325 -0.408 0.00 0.00 +0.348 C ATOM 33 O LIG 1 -6.131 2.917 0.454 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 -7.023 2.957 -1.574 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 -6.601 3.836 -1.463 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 22 28 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11