REMARK Name = BDB035848 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.056 0.575 -0.411 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.317 1.105 -0.705 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.649 2.047 -1.400 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.304 0.282 0.007 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.681 0.408 0.027 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.417 -0.519 0.778 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.736 -1.529 1.499 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.331 -1.639 1.475 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.631 -0.712 0.707 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.160 -0.575 0.479 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.675 0.834 -0.961 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.394 0.419 -0.514 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.195 1.054 -0.886 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.291 2.159 -1.733 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.530 2.607 -2.191 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.701 1.953 -1.810 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.818 0.130 0.670 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -5.316 0.096 1.024 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -4.992 0.038 -0.510 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.404 0.679 -0.716 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -4.936 -1.448 -1.079 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.830 -1.839 -2.386 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.741 -1.012 -3.557 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.806 -3.200 -2.369 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.894 -3.625 -1.130 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.973 -2.521 -0.316 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -9.015 1.007 1.197 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -7.623 1.010 1.482 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.612 -2.726 2.230 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.571 -2.247 2.964 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.409 -3.399 3.103 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.085 -3.664 1.398 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.926 -0.412 0.842 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.313 0.584 1.835 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 5.945 0.297 2.742 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.713 0.993 1.877 0.00 0.00 +0.056 C ATOM 37 C LIG 1 8.751 -0.036 1.386 0.00 0.00 +0.037 C ATOM 38 C LIG 1 9.469 1.158 0.689 0.00 0.00 +0.094 C ATOM 39 C LIG 1 8.081 1.858 0.652 0.00 0.00 +0.037 C BRANCH 38 40 ATOM 40 C LIG 1 10.061 0.868 -0.597 0.00 0.00 +0.066 C ATOM 41 N LIG 1 10.538 0.628 -1.627 0.00 0.00 -0.196 NA ENDBRANCH 38 40 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9