REMARK Name = BDB035771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.901 -0.263 0.334 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.396 -1.498 0.808 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.014 -1.722 0.967 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.155 -0.677 0.632 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.337 -0.608 0.697 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.639 0.738 0.222 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.528 1.432 -0.114 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.695 2.557 -0.552 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.655 0.529 0.154 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.008 0.763 -0.010 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.970 1.235 0.145 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.061 0.419 0.495 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.415 0.845 0.441 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.624 2.173 0.033 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.563 3.006 -0.323 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.251 2.537 -0.270 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.608 -0.172 0.831 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -5.751 -0.481 2.362 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -6.915 0.528 2.420 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -7.089 0.327 0.901 0.00 0.00 +0.051 C BRANCH 17 21 ATOM 21 C LIG 1 -5.492 -1.478 -0.057 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.597 -1.564 -1.419 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.814 -0.500 -2.358 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.386 -2.871 -1.728 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -5.162 -3.553 -0.628 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -5.224 -2.674 0.426 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 O LIG 1 -6.565 1.859 2.858 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -7.633 2.793 2.931 0.00 0.00 +0.194 C ENDBRANCH 19 27 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 1.480 -3.033 1.478 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.636 -3.628 0.590 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.768 -2.887 2.629 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.449 -3.950 1.747 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 5.392 -0.057 0.163 0.00 0.00 +0.117 C BRANCH 33 34 ATOM 34 N LIG 1 5.774 -0.308 -1.224 0.00 0.00 -0.300 NA ATOM 35 H LIG 1 5.419 -1.223 -1.499 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.232 -0.265 -1.496 0.00 0.00 +0.163 C BRANCH 36 38 ATOM 37 C LIG 1 7.672 -2.727 -0.937 0.00 0.00 +0.006 C ATOM 38 C LIG 1 8.090 -1.279 -0.718 0.00 0.00 +0.027 C ENDBRANCH 36 38 BRANCH 36 39 ATOM 39 C LIG 1 7.830 1.142 -1.305 0.00 0.00 +0.324 C ATOM 40 O LIG 1 7.731 1.833 -0.291 0.00 0.00 -0.249 OA BRANCH 39 41 ATOM 41 O LIG 1 8.565 1.485 -2.411 0.00 0.00 -0.467 OA ATOM 42 C LIG 1 9.185 2.767 -2.319 0.00 0.00 +0.280 C ENDBRANCH 39 41 ENDBRANCH 36 39 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 11