REMARK Name = BDB036031 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.614 0.711 -0.374 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.676 0.719 -1.790 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.516 0.692 -2.586 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.292 0.662 -1.924 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.094 0.628 -2.481 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.941 0.594 -1.295 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.175 0.626 -0.126 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.497 0.633 1.048 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.234 0.662 -0.536 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.365 0.690 0.260 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.361 0.547 -1.379 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.173 0.479 -0.236 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.591 0.436 -0.281 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -5.169 0.471 -1.563 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.390 0.533 -2.717 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.999 0.568 -2.624 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.460 0.356 1.089 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -5.352 1.618 2.023 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -6.620 2.049 1.384 0.00 0.00 -0.027 C ATOM 20 C LIG 1 -7.525 3.143 1.842 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -6.812 3.252 0.517 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -7.000 0.656 1.055 0.00 0.00 +0.026 C BRANCH 17 23 ATOM 23 C LIG 1 -5.167 -1.006 1.846 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -5.299 -2.277 1.357 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.726 -2.682 0.047 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -4.948 -3.111 2.373 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -4.630 -2.404 3.431 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -4.765 -1.077 3.099 0.00 0.00 -0.134 NA ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 2.586 0.684 -4.088 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.846 0.788 -4.588 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.876 1.708 -4.639 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.059 -0.453 -4.620 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 4.888 0.753 0.450 0.00 0.00 +0.119 C BRANCH 33 37 ATOM 34 C LIG 1 9.574 -0.745 0.880 0.00 0.00 +0.009 C ATOM 35 C LIG 1 8.143 -1.155 0.537 0.00 0.00 +0.000 C ATOM 36 C LIG 1 7.198 0.054 0.548 0.00 0.00 +0.088 C ATOM 37 N LIG 1 5.849 -0.293 0.071 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 5.414 -1.644 0.463 0.00 0.00 +0.085 C ATOM 39 C LIG 1 6.125 -2.187 1.699 0.00 0.00 +0.016 C ATOM 40 C LIG 1 7.640 -2.240 1.502 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 6