REMARK Name = BDB026042 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.190 0.760 -0.072 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.681 2.065 0.026 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.515 3.117 0.005 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.682 2.326 0.159 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.595 1.272 0.202 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.109 -0.052 0.108 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.261 -0.297 -0.031 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.990 1.469 0.350 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.347 1.949 1.708 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.859 2.312 1.780 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.704 1.032 1.633 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.205 3.424 0.857 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -6.596 3.476 0.434 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.263 3.556 -0.272 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.613 2.242 -0.755 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 5.344 -0.008 -0.475 0.00 0.00 +0.218 A ATOM 17 N LIG 1 4.803 1.018 -1.151 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 3.477 1.245 -1.005 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.631 0.498 -0.211 0.00 0.00 +0.021 A ATOM 20 C LIG 1 3.288 -0.528 0.440 0.00 0.00 +0.124 A ATOM 21 N LIG 1 4.609 -0.793 0.329 0.00 0.00 -0.222 NA BRANCH 16 27 ATOM 22 C LIG 1 9.572 1.042 -0.901 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.842 0.067 -1.825 0.00 0.00 +0.133 C ATOM 24 O LIG 1 9.199 -1.298 -1.537 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 8.633 -1.762 -0.303 0.00 0.00 +0.179 C ATOM 26 C LIG 1 7.104 -1.627 -0.277 0.00 0.00 +0.136 C ATOM 27 N LIG 1 6.716 -0.243 -0.582 0.00 0.00 -0.295 N ATOM 28 C LIG 1 7.312 0.278 -1.822 0.00 0.00 +0.139 C ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -2.094 -1.061 0.152 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.032 -0.665 0.221 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.911 -2.421 0.177 0.00 0.00 +0.249 C ATOM 32 O LIG 1 -0.854 -3.034 0.219 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.170 -3.205 0.224 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -4.150 -3.128 -0.782 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -5.319 -3.896 -0.634 0.00 0.00 +0.051 A ATOM 36 C LIG 1 -5.480 -4.730 0.470 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -6.600 -5.454 0.587 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -4.497 -4.826 1.445 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -3.336 -4.065 1.322 0.00 0.00 +0.016 A BRANCH 34 40 ATOM 40 C LIG 1 -3.978 -2.256 -1.996 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -4.203 -0.943 -1.713 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.743 -2.328 -2.555 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.851 -2.563 -2.998 0.00 0.00 -0.166 F ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6