REMARK Name = BDB035854 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.748 0.215 0.479 0.00 0.00 -0.032 A ATOM 2 C LIG 1 4.198 1.516 0.591 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.808 1.738 0.605 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.984 0.621 0.497 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.492 0.531 0.473 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.237 -0.899 0.339 0.00 0.00 -0.263 N ATOM 7 C LIG 1 1.432 -1.624 0.279 0.00 0.00 +0.251 C ATOM 8 O LIG 1 1.643 -2.817 0.162 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.528 -0.653 0.382 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.891 -0.887 0.368 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.080 -1.431 0.285 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.200 -0.582 0.341 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -3.540 -1.044 0.282 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -3.710 -2.435 0.172 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -2.620 -3.301 0.119 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.319 -2.802 0.173 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -4.764 -0.009 0.328 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -6.213 -0.525 0.611 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -6.447 0.721 1.494 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -4.915 0.796 1.666 0.00 0.00 +0.051 C BRANCH 17 21 ATOM 21 C LIG 1 -4.714 0.931 -0.955 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.756 0.555 -2.271 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.854 -0.772 -2.813 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.670 1.706 -2.992 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.580 2.730 -2.176 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.603 2.242 -0.892 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 O LIG 1 -7.218 0.483 2.691 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -7.397 1.611 3.538 0.00 0.00 +0.194 C ENDBRANCH 19 27 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 2.229 3.123 0.710 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.576 3.494 -0.424 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.155 4.091 0.950 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.314 3.222 1.714 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 6.249 0.028 0.454 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.798 0.527 -0.803 0.00 0.00 -0.312 NA ATOM 35 H LIG 1 6.394 0.003 -1.578 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 8.257 0.463 -0.856 0.00 0.00 +0.081 C BRANCH 36 38 ATOM 37 C LIG 1 8.400 -1.763 -2.107 0.00 0.00 +0.005 C ATOM 38 C LIG 1 8.862 -0.945 -0.910 0.00 0.00 +0.012 C ENDBRANCH 36 38 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 9