REMARK Name = BDB037741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.708 -2.470 -0.736 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.670 -1.521 -0.365 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -1.426 -0.162 -0.296 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -2.657 0.460 0.054 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.609 -0.479 0.181 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 -0.078 0.423 -0.578 0.00 0.00 +0.057 C ATOM 7 C LIG 1 0.962 -0.654 -0.175 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.995 -1.665 -0.031 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.629 -2.025 -0.816 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.536 -2.719 -1.294 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.895 1.912 0.245 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -4.195 2.381 0.403 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -5.429 1.654 0.340 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -6.548 2.648 0.162 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.919 4.018 0.095 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -6.280 1.608 -0.892 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.456 3.821 0.564 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.958 2.712 0.246 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -4.301 4.237 1.975 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -4.215 4.574 3.083 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.793 -2.861 0.208 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -4.815 -3.092 -0.917 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -6.013 -3.894 -0.427 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -5.594 -4.809 0.580 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.240 -4.154 1.800 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.492 -2.843 1.573 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.351 -0.314 -0.494 0.00 0.00 -0.303 N ATOM 28 H LIG 1 2.840 -0.962 -1.107 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 3.051 0.638 0.202 0.00 0.00 +0.215 C ATOM 30 O LIG 1 2.556 1.300 1.107 0.00 0.00 -0.276 OA BRANCH 29 31 ATOM 31 C LIG 1 4.493 0.755 -0.229 0.00 0.00 +0.115 C BRANCH 31 32 ATOM 32 C LIG 1 5.119 2.043 0.294 0.00 0.00 +0.123 C BRANCH 32 33 ATOM 33 N LIG 1 6.537 2.139 -0.052 0.00 0.00 -0.265 N ATOM 34 C LIG 1 7.558 1.692 0.833 0.00 0.00 +0.078 A ATOM 35 C LIG 1 8.900 1.969 0.531 0.00 0.00 +0.142 A ATOM 36 C LIG 1 9.926 1.594 1.403 0.00 0.00 +0.047 A ATOM 37 C LIG 1 9.630 0.909 2.577 0.00 0.00 +0.004 A ATOM 38 C LIG 1 8.306 0.609 2.883 0.00 0.00 +0.002 A ATOM 39 O LIG 1 9.301 2.663 -0.578 0.00 0.00 -0.481 OA ATOM 40 C LIG 1 8.364 2.600 -1.634 0.00 0.00 +0.325 C ATOM 41 C LIG 1 7.277 1.000 2.020 0.00 0.00 +0.027 A ATOM 42 C LIG 1 6.878 2.648 -1.300 0.00 0.00 +0.258 C ATOM 43 O LIG 1 6.050 3.035 -2.126 0.00 0.00 -0.272 OA ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 44 ATOM 44 C LIG 1 0.167 0.943 -1.990 0.00 0.00 -0.001 C ATOM 45 C LIG 1 -0.195 0.165 -3.235 0.00 0.00 +0.004 C ATOM 46 C LIG 1 -0.934 1.433 -2.905 0.00 0.00 +0.004 C ENDBRANCH 6 44 BRANCH 1 48 ATOM 47 C LIG 1 -0.630 -4.875 -0.158 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -0.968 -3.826 -1.207 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 9