REMARK Name = BDB037541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.259 2.887 0.345 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.928 1.652 0.274 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.580 0.646 -0.605 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -0.977 -0.538 0.065 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -1.792 -0.248 1.097 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.294 0.996 -1.757 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.488 1.780 -1.193 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.942 1.105 1.050 0.00 0.00 -0.217 N ATOM 9 C LIG 1 0.947 3.022 -0.407 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.628 4.050 -0.344 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -0.439 -1.895 -0.101 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -1.313 -2.901 -0.471 0.00 0.00 -0.280 N ATOM 13 C LIG 1 -0.892 -4.303 -0.450 0.00 0.00 +0.179 C ATOM 14 C LIG 1 -2.145 -5.066 -0.901 0.00 0.00 +0.039 C ATOM 15 C LIG 1 -3.288 -4.172 -0.444 0.00 0.00 +0.022 C ATOM 16 C LIG 1 -2.745 -2.773 -0.693 0.00 0.00 +0.109 C ATOM 17 O LIG 1 0.750 -2.110 0.130 0.00 0.00 -0.268 OA BRANCH 13 18 ATOM 18 C LIG 1 0.254 -4.639 -1.317 0.00 0.00 +0.085 C ATOM 19 N LIG 1 1.142 -4.963 -1.993 0.00 0.00 -0.195 NA ENDBRANCH 13 18 ENDBRANCH 4 11 BRANCH 6 20 ATOM 20 C LIG 1 0.453 -0.204 -2.664 0.00 0.00 -0.037 A ATOM 21 C LIG 1 1.662 -0.895 -2.825 0.00 0.00 +0.007 A ATOM 22 C LIG 1 1.757 -1.973 -3.711 0.00 0.00 +0.038 A ATOM 23 C LIG 1 0.649 -2.362 -4.451 0.00 0.00 +0.123 A ATOM 24 F LIG 1 0.745 -3.386 -5.308 0.00 0.00 -0.205 F ATOM 25 C LIG 1 -0.560 -1.695 -4.320 0.00 0.00 +0.038 A ATOM 26 C LIG 1 -0.657 -0.621 -3.436 0.00 0.00 +0.007 A ENDBRANCH 6 20 BRANCH 8 27 ATOM 27 C LIG 1 -3.076 1.700 1.658 0.00 0.00 +0.067 A ATOM 28 C LIG 1 -3.608 2.895 1.161 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -4.741 3.455 1.753 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -5.357 2.816 2.828 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.852 1.607 3.305 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -3.720 1.041 2.715 0.00 0.00 +0.028 A ENDBRANCH 8 27 BRANCH 7 33 ATOM 33 N LIG 1 2.341 0.997 -0.290 0.00 0.00 -0.298 N ATOM 34 H LIG 1 1.899 0.474 0.455 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 3.707 1.202 -0.225 0.00 0.00 +0.265 C ATOM 36 O LIG 1 4.284 1.972 -0.987 0.00 0.00 -0.268 OA BRANCH 35 37 ATOM 37 C LIG 1 4.402 0.408 0.812 0.00 0.00 +0.147 A ATOM 38 N LIG 1 5.639 0.732 1.235 0.00 0.00 -0.160 NA ATOM 39 N LIG 1 5.960 -0.211 2.157 0.00 0.00 -0.178 N ATOM 40 C LIG 1 4.953 -1.125 2.339 0.00 0.00 +0.118 A ATOM 41 C LIG 1 3.941 -0.759 1.486 0.00 0.00 +0.054 A BRANCH 39 42 ATOM 42 C LIG 1 7.258 -0.200 2.849 0.00 0.00 +0.506 C ATOM 43 F LIG 1 7.364 -1.236 3.730 0.00 0.00 -0.149 F ATOM 44 F LIG 1 7.445 0.937 3.569 0.00 0.00 -0.149 F ATOM 45 F LIG 1 8.303 -0.318 1.988 0.00 0.00 -0.149 F ENDBRANCH 39 42 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 47 ATOM 46 C LIG 1 -0.960 5.243 0.788 0.00 0.00 +0.025 C ATOM 47 C LIG 1 -0.485 3.915 1.365 0.00 0.00 +0.112 C ENDBRANCH 1 47 TORSDOF 8