REMARK Name = BDB010060 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.441 -1.241 -0.781 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.413 -0.969 0.109 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.671 -1.735 -0.254 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.244 -2.415 -1.381 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -1.003 -3.277 -2.074 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -2.229 -3.418 -1.552 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.730 -2.803 -0.454 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.959 -1.931 0.225 0.00 0.00 +0.151 A ATOM 9 N LIG 1 1.045 -2.105 -1.696 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 4.630 2.220 -2.435 0.00 0.00 +0.044 C ATOM 11 C LIG 1 4.329 1.052 -1.544 0.00 0.00 -0.050 A ATOM 12 C LIG 1 3.073 0.432 -1.594 0.00 0.00 +0.015 A ATOM 13 C LIG 1 2.765 -0.630 -0.735 0.00 0.00 +0.018 A ATOM 14 C LIG 1 3.733 -1.091 0.164 0.00 0.00 +0.011 A ATOM 15 C LIG 1 4.982 -0.474 0.226 0.00 0.00 +0.001 A ATOM 16 C LIG 1 5.274 0.599 -0.616 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 8 17 ATOM 17 N LIG 1 -2.439 -1.296 1.378 0.00 0.00 -0.313 N ATOM 18 C LIG 1 -2.604 -2.278 2.476 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -4.101 -2.342 2.754 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -4.555 -0.939 2.410 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -3.749 -0.644 1.152 0.00 0.00 +0.106 C ENDBRANCH 8 17 BRANCH 6 22 ATOM 22 C LIG 1 -3.173 -4.365 -2.246 0.00 0.00 +0.375 C ATOM 23 O LIG 1 -4.321 -4.621 -1.915 0.00 0.00 -0.242 OA BRANCH 22 24 ATOM 24 O LIG 1 -2.639 -4.962 -3.336 0.00 0.00 -0.475 OA ATOM 25 H LIG 1 -3.355 -5.536 -3.674 0.00 0.00 +0.296 HD ENDBRANCH 22 24 ENDBRANCH 6 22 BRANCH 2 26 ATOM 26 C LIG 1 0.493 -0.042 1.230 0.00 0.00 +0.159 C BRANCH 26 27 ATOM 27 C LIG 1 0.445 1.402 0.787 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -0.681 1.920 0.132 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -0.715 3.255 -0.279 0.00 0.00 +0.013 A ATOM 30 C LIG 1 0.373 4.104 -0.037 0.00 0.00 +0.055 A ATOM 31 C LIG 1 1.498 3.588 0.622 0.00 0.00 +0.013 A ATOM 32 C LIG 1 1.530 2.254 1.036 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 0.358 5.543 -0.490 0.00 0.00 +0.417 C ATOM 34 F LIG 1 0.740 6.406 0.493 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -0.868 5.971 -0.902 0.00 0.00 -0.166 F ATOM 36 F LIG 1 1.203 5.768 -1.534 0.00 0.00 -0.166 F ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 7