REMARK Name = BDB006507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.149 -3.590 -0.889 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.419 -2.754 0.205 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.306 -1.887 1.080 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.612 -1.298 1.952 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.210 -0.392 2.950 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.149 -0.079 3.054 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.085 -0.642 2.187 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.864 -1.786 1.614 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.675 -1.558 1.207 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.758 -2.677 0.563 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.934 -3.376 -0.032 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.515 -0.262 2.351 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.294 -0.311 1.214 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.839 -0.409 0.316 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.937 0.106 3.441 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.686 0.106 1.228 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -6.580 -0.941 1.900 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.139 0.418 -0.189 0.00 0.00 -0.025 A ATOM 19 C LIG 1 -6.301 -0.591 -1.149 0.00 0.00 +0.044 A ATOM 20 C LIG 1 -6.698 -0.272 -2.447 0.00 0.00 +0.135 A ATOM 21 F LIG 1 -6.842 -1.264 -3.336 0.00 0.00 -0.205 F ATOM 22 C LIG 1 -6.938 1.044 -2.829 0.00 0.00 +0.090 A ATOM 23 C LIG 1 -6.768 2.059 -1.878 0.00 0.00 +0.015 A ATOM 24 C LIG 1 -6.369 1.748 -0.573 0.00 0.00 +0.006 A BRANCH 22 25 ATOM 25 C LIG 1 -7.362 1.332 -4.237 0.00 0.00 +0.420 C ATOM 26 F LIG 1 -7.570 2.661 -4.470 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -8.527 0.717 -4.579 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -6.439 0.942 -5.159 0.00 0.00 -0.166 F ENDBRANCH 22 25 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 3.104 -1.446 2.314 0.00 0.00 +0.157 C BRANCH 29 30 ATOM 30 C LIG 1 3.983 -0.496 1.535 0.00 0.00 -0.028 A ATOM 31 C LIG 1 5.341 -0.791 1.350 0.00 0.00 +0.006 A ATOM 32 C LIG 1 6.175 0.090 0.654 0.00 0.00 +0.009 A ATOM 33 C LIG 1 5.684 1.296 0.132 0.00 0.00 -0.018 A ATOM 34 C LIG 1 4.327 1.592 0.333 0.00 0.00 +0.009 A ATOM 35 C LIG 1 3.489 0.713 1.028 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 6.563 2.222 -0.600 0.00 0.00 -0.018 A ATOM 37 C LIG 1 6.671 3.570 -0.222 0.00 0.00 +0.008 A ATOM 38 C LIG 1 7.507 4.449 -0.916 0.00 0.00 +0.001 A ATOM 39 C LIG 1 8.249 3.994 -2.003 0.00 0.00 +0.000 A ATOM 40 C LIG 1 8.157 2.661 -2.395 0.00 0.00 +0.001 A ATOM 41 C LIG 1 7.322 1.783 -1.699 0.00 0.00 +0.008 A ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 7