REMARK Name = BDB022850 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.561 -1.536 -2.716 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -1.587 -0.313 -1.790 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -1.022 -0.634 -0.468 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -1.727 -1.294 0.542 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -1.125 -1.936 1.407 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 0.439 -0.801 -0.408 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.235 0.043 -1.376 0.00 0.00 +0.067 A ATOM 8 C LIG 1 0.605 0.814 -2.332 0.00 0.00 -0.005 A ATOM 9 C LIG 1 1.441 1.536 -3.154 0.00 0.00 +0.120 A ATOM 10 N LIG 1 2.783 1.491 -3.078 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 3.310 0.698 -2.140 0.00 0.00 +0.216 A ATOM 12 N LIG 1 2.582 -0.026 -1.280 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 -0.883 0.904 -2.416 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.257 -1.156 0.600 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -3.639 0.202 1.249 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.773 0.042 2.287 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -4.399 -0.879 3.362 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -5.499 -1.079 4.303 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.834 -2.151 2.896 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -3.868 -2.339 1.377 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.021 1.270 0.230 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -3.292 2.467 0.170 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -3.626 3.460 -0.754 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.693 3.269 -1.629 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -5.433 2.090 -1.576 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.102 1.097 -0.651 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 4.698 0.665 -2.102 0.00 0.00 -0.310 N ATOM 28 H LIG 1 4.977 1.492 -2.625 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 5.296 0.527 -0.772 0.00 0.00 +0.083 C ATOM 30 C LIG 1 6.699 1.134 -0.792 0.00 0.00 +0.118 C ATOM 31 C LIG 1 7.342 0.983 0.568 0.00 0.00 +0.217 C ATOM 32 O LIG 1 8.010 1.884 1.068 0.00 0.00 -0.276 OA ATOM 33 N LIG 1 7.146 -0.260 1.157 0.00 0.00 -0.304 N ATOM 34 C LIG 1 7.893 -0.599 2.354 0.00 0.00 +0.132 C ATOM 35 C LIG 1 6.629 -1.345 0.342 0.00 0.00 +0.109 C ATOM 36 C LIG 1 5.330 -0.953 -0.350 0.00 0.00 +0.041 C ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 4