REMARK Name = BDB060666 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.401 -0.161 1.614 0.00 0.00 +0.254 C ATOM 2 N LIG 1 -0.939 0.059 1.353 0.00 0.00 -0.278 N ATOM 3 H LIG 1 -1.342 -0.255 0.469 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.981 0.144 2.651 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 3.322 -1.184 -0.604 0.00 0.00 +0.020 A ATOM 6 C LIG 1 2.543 -0.568 0.398 0.00 0.00 +0.146 A ATOM 7 F LIG 1 3.148 0.295 1.232 0.00 0.00 -0.204 F ATOM 8 C LIG 1 1.171 -0.817 0.527 0.00 0.00 +0.108 A ATOM 9 C LIG 1 0.571 -1.701 -0.366 0.00 0.00 +0.138 A ATOM 10 F LIG 1 -0.738 -1.979 -0.285 0.00 0.00 -0.205 F ATOM 11 C LIG 1 1.308 -2.324 -1.369 0.00 0.00 +0.040 A ATOM 12 C LIG 1 2.675 -2.068 -1.487 0.00 0.00 +0.014 A BRANCH 5 16 ATOM 13 C LIG 1 7.488 -0.493 -1.008 0.00 0.00 +0.125 A ATOM 14 N LIG 1 7.034 -1.769 -0.999 0.00 0.00 -0.250 NA ATOM 15 C LIG 1 5.699 -1.944 -0.861 0.00 0.00 +0.120 A ATOM 16 C LIG 1 4.763 -0.914 -0.737 0.00 0.00 +0.003 A ATOM 17 C LIG 1 5.278 0.390 -0.756 0.00 0.00 +0.012 A ATOM 18 C LIG 1 6.650 0.610 -0.891 0.00 0.00 +0.033 A BRANCH 13 22 ATOM 19 N LIG 1 9.540 0.760 -0.521 0.00 0.00 -0.324 N ATOM 20 H LIG 1 9.080 1.205 0.261 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 10.553 0.754 -0.511 0.00 0.00 +0.145 HD ATOM 22 C LIG 1 8.970 -0.318 -1.158 0.00 0.00 +0.260 C ATOM 23 O LIG 1 9.672 -1.095 -1.793 0.00 0.00 -0.269 OA ENDBRANCH 13 22 ENDBRANCH 5 16 ENDBRANCH 1 8 BRANCH 2 24 ATOM 24 C LIG 1 -1.839 0.662 2.219 0.00 0.00 +0.084 A ATOM 25 C LIG 1 -3.223 0.904 1.974 0.00 0.00 +0.168 A ATOM 26 N LIG 1 -3.814 1.506 3.030 0.00 0.00 -0.167 NA ATOM 27 N LIG 1 -2.812 1.640 3.919 0.00 0.00 -0.282 N ATOM 28 H LIG 1 -3.013 2.075 4.814 0.00 0.00 +0.188 HD ATOM 29 C LIG 1 -1.619 1.156 3.480 0.00 0.00 +0.129 A BRANCH 25 30 ATOM 30 C LIG 1 -3.973 0.573 0.749 0.00 0.00 +0.270 C ATOM 31 N LIG 1 -5.304 0.928 0.849 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -5.535 1.357 1.743 0.00 0.00 +0.155 HD ATOM 33 O LIG 1 -3.420 0.047 -0.212 0.00 0.00 -0.268 OA BRANCH 31 34 ATOM 34 C LIG 1 -6.328 0.775 -0.099 0.00 0.00 +0.034 A ATOM 35 C LIG 1 -7.604 1.232 0.262 0.00 0.00 +0.026 A ATOM 36 C LIG 1 -8.677 1.116 -0.625 0.00 0.00 +0.040 A ATOM 37 C LIG 1 -8.472 0.542 -1.873 0.00 0.00 +0.124 A ATOM 38 F LIG 1 -9.499 0.430 -2.725 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -7.216 0.084 -2.247 0.00 0.00 +0.040 A ATOM 40 C LIG 1 -6.142 0.200 -1.359 0.00 0.00 +0.026 A ENDBRANCH 31 34 ENDBRANCH 25 30 ENDBRANCH 2 24 TORSDOF 6