REMARK Name = BDB035727 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.964 0.369 -1.637 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.309 0.463 -0.405 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.741 0.420 0.733 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.124 0.600 -0.691 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.173 0.745 0.199 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.467 0.855 -0.327 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.659 0.801 -1.730 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.580 0.650 -2.622 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.306 0.553 -2.069 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.017 0.379 -2.744 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.661 0.310 -0.950 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.271 0.448 -0.782 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.366 0.263 -1.839 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.890 -0.031 -3.105 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.266 -0.173 -3.297 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.143 -0.014 -2.227 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.663 0.466 0.197 0.00 0.00 +0.128 C BRANCH 17 20 ATOM 18 C LIG 1 -4.143 -2.360 0.717 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.524 -2.024 0.941 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.193 -0.841 0.725 0.00 0.00 +0.144 A ATOM 21 N LIG 1 -7.461 -1.028 1.050 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -7.621 -2.313 1.492 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.453 -2.901 1.421 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.228 1.484 1.266 0.00 0.00 +0.171 C ATOM 25 C LIG 1 -4.356 1.044 2.465 0.00 0.00 +0.203 C ATOM 26 O LIG 1 -5.280 1.625 3.414 0.00 0.00 -0.373 OA ATOM 27 C LIG 1 -6.270 1.795 2.371 0.00 0.00 +0.203 C ATOM 28 F LIG 1 -4.781 2.611 0.638 0.00 0.00 -0.236 F ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.785 0.587 -4.111 0.00 0.00 +0.418 C ATOM 30 F LIG 1 4.082 0.711 -4.498 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.100 1.565 -4.764 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.341 -0.587 -4.639 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.660 1.000 0.594 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.416 -0.252 0.639 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 4.764 -1.010 0.845 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 6.559 -0.180 1.565 0.00 0.00 +0.017 C ATOM 37 C LIG 1 6.062 -0.258 3.037 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.127 -1.350 3.274 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.086 -1.635 1.757 0.00 0.00 +0.022 C ATOM 40 C LIG 1 7.620 0.842 1.197 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8