REMARK Name = BDB039321 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.221 -1.719 -1.122 0.00 0.00 +0.057 A ATOM 2 N LIG 1 -0.448 -3.099 -1.067 0.00 0.00 -0.282 N ATOM 3 C LIG 1 -1.677 -3.664 -0.769 0.00 0.00 +0.162 A ATOM 4 N LIG 1 -1.573 -4.976 -0.782 0.00 0.00 -0.130 NA ATOM 5 N LIG 1 -0.270 -5.293 -1.097 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -2.764 -2.787 -0.516 0.00 0.00 +0.053 A ATOM 7 C LIG 1 -2.585 -1.446 -0.559 0.00 0.00 -0.028 A ATOM 8 C LIG 1 0.385 -4.167 -1.269 0.00 0.00 +0.230 A ATOM 9 C LIG 1 -1.260 -0.893 -0.876 0.00 0.00 +0.032 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.468 0.265 -0.796 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.928 0.462 -2.059 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.455 0.972 -3.029 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.562 -0.070 -2.024 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.298 -0.502 -0.726 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.064 -1.045 -0.408 0.00 0.00 +0.016 A ATOM 16 C LIG 1 1.100 -1.151 -1.426 0.00 0.00 -0.001 A ATOM 17 C LIG 1 1.388 -0.703 -2.736 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.635 -0.154 -3.045 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.484 -0.254 0.146 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 9.382 2.505 2.312 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 8.651 2.049 1.437 0.00 0.00 +0.219 C ATOM 22 N LIG 1 7.584 2.767 0.961 0.00 0.00 -0.255 N ATOM 23 H LIG 1 7.415 3.638 1.448 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.480 2.237 0.333 0.00 0.00 +0.240 C ATOM 25 O LIG 1 5.399 2.820 0.380 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.716 0.898 -0.387 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.562 -0.003 0.508 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.881 0.690 0.818 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 7 29 ATOM 29 C LIG 1 -3.683 -0.426 -0.300 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 N LIG 1 -4.850 -0.935 0.416 0.00 0.00 -0.291 NA ATOM 31 C LIG 1 -6.069 -0.111 0.304 0.00 0.00 +0.087 C ATOM 32 C LIG 1 -6.968 -0.733 1.380 0.00 0.00 +0.025 C ATOM 33 C LIG 1 -6.022 -1.351 2.407 0.00 0.00 +0.017 C ATOM 34 C LIG 1 -4.622 -1.160 1.843 0.00 0.00 +0.085 C BRANCH 31 35 ATOM 35 C LIG 1 -5.882 1.397 0.434 0.00 0.00 -0.030 A ATOM 36 C LIG 1 -5.739 2.054 1.667 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.555 3.439 1.726 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.510 4.190 0.555 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.650 3.560 -0.677 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.834 2.177 -0.737 0.00 0.00 +0.005 A ENDBRANCH 31 35 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 5