REMARK Name = BDB035682 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.572 -0.340 0.838 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.596 -0.715 1.513 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.768 -1.194 2.619 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.722 -0.434 0.613 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.073 -0.637 0.830 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.961 -0.291 -0.197 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.454 0.248 -1.406 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.076 0.450 -1.610 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.221 0.095 -0.570 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.268 0.185 -0.487 0.00 0.00 +0.150 C ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 -3.755 -1.490 4.498 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -3.499 -1.010 3.098 0.00 0.00 -0.048 A ATOM 13 C LIG 1 -2.183 -0.913 2.616 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -1.904 -0.436 1.330 0.00 0.00 +0.037 A ATOM 15 C LIG 1 -2.991 -0.047 0.530 0.00 0.00 +0.028 A ATOM 16 C LIG 1 -4.321 -0.127 0.990 0.00 0.00 -0.035 A ATOM 17 C LIG 1 -4.559 -0.602 2.286 0.00 0.00 +0.007 A BRANCH 16 18 ATOM 18 C LIG 1 -5.468 0.314 0.085 0.00 0.00 +0.094 C BRANCH 18 19 ATOM 19 C LIG 1 -6.545 -0.731 -0.024 0.00 0.00 +0.141 A ATOM 20 N LIG 1 -6.402 -1.957 -0.627 0.00 0.00 -0.320 N ATOM 21 C LIG 1 -5.228 -2.507 -1.248 0.00 0.00 +0.151 C ATOM 22 C LIG 1 -7.607 -2.580 -0.512 0.00 0.00 +0.224 A ATOM 23 N LIG 1 -8.449 -1.794 0.113 0.00 0.00 -0.138 NA ATOM 24 N LIG 1 -7.783 -0.635 0.425 0.00 0.00 -0.134 NA ENDBRANCH 18 19 BRANCH 18 25 ATOM 25 C LIG 1 -6.035 1.638 0.610 0.00 0.00 +0.055 C ATOM 26 C LIG 1 -6.963 2.378 -0.370 0.00 0.00 +0.166 C ATOM 27 O LIG 1 -5.899 3.299 -0.727 0.00 0.00 -0.379 OA ATOM 28 C LIG 1 -5.142 2.878 0.435 0.00 0.00 +0.166 C ENDBRANCH 18 25 ENDBRANCH 16 18 ENDBRANCH 1 14 BRANCH 8 29 ATOM 29 C LIG 1 1.540 1.024 -2.893 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.659 0.179 -3.499 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.854 2.183 -2.689 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.494 1.304 -3.820 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.453 -0.492 -0.026 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.138 0.796 -0.046 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.814 1.337 0.756 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.601 0.790 -0.202 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.992 0.321 -1.629 0.00 0.00 +0.022 C ATOM 38 C LIG 1 9.126 -0.501 -0.974 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.324 -0.466 0.349 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.192 2.131 0.221 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8