REMARK Name = BDB035466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.610 -0.683 -0.344 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.555 -1.454 -0.267 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.720 -2.653 -0.137 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.690 -0.528 -0.368 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.043 -0.814 -0.341 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.941 0.256 -0.451 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.443 1.577 -0.573 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.062 1.850 -0.599 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.197 0.764 -0.495 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.296 0.732 -0.487 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.374 -0.719 -0.333 0.00 0.00 -0.035 A ATOM 12 C LIG 1 3.035 -0.274 -0.361 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.948 -1.166 -0.306 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.237 -2.531 -0.218 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.556 -2.993 -0.190 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.617 -2.095 -0.247 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.509 0.297 -0.385 0.00 0.00 +0.091 C BRANCH 17 20 ATOM 18 C LIG 1 5.366 0.342 2.740 0.00 0.00 +0.151 C ATOM 19 N LIG 1 6.521 0.020 1.946 0.00 0.00 -0.320 N ATOM 20 C LIG 1 6.624 -0.014 0.577 0.00 0.00 +0.141 A ATOM 21 N LIG 1 7.856 -0.372 0.266 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 8.557 -0.571 1.429 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 7.743 -0.335 2.429 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 6.048 0.493 -1.815 0.00 0.00 +0.018 C ATOM 25 C LIG 1 5.056 0.796 -2.985 0.00 0.00 +0.079 C ATOM 26 C LIG 1 6.001 -0.034 -3.878 0.00 0.00 +0.134 C ATOM 27 O LIG 1 6.163 -0.119 -5.076 0.00 0.00 -0.297 OA ATOM 28 C LIG 1 6.659 -0.689 -2.644 0.00 0.00 +0.079 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.532 3.253 -0.720 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -2.495 4.200 -0.871 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.805 3.619 0.372 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.691 3.393 -1.782 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.435 0.013 -0.409 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -5.979 0.450 0.878 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -5.423 0.023 1.619 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.424 0.185 0.990 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -7.674 -1.330 1.234 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -8.597 -0.927 2.403 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -7.815 0.402 2.484 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -8.292 0.925 -0.012 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8