REMARK Name = BDB039398 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.655 0.622 1.120 0.00 0.00 +0.001 A ATOM 2 C LIG 1 1.095 -0.024 -0.057 0.00 0.00 +0.016 A ATOM 3 C LIG 1 2.455 -0.148 -0.297 0.00 0.00 -0.017 A ATOM 4 C LIG 1 3.166 -0.766 -1.452 0.00 0.00 +0.144 C ATOM 5 N LIG 1 4.566 -0.646 -1.069 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.724 0.087 0.094 0.00 0.00 +0.248 C ATOM 7 O LIG 1 5.753 0.482 0.603 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.379 0.357 0.612 0.00 0.00 +0.042 A ATOM 9 C LIG 1 3.004 0.994 1.776 0.00 0.00 +0.014 A ATOM 10 C LIG 1 1.633 1.117 2.025 0.00 0.00 +0.011 A ENDROOT BRANCH 1 17 ATOM 11 C LIG 1 -2.252 0.343 5.438 0.00 0.00 +0.150 C ATOM 12 N LIG 1 -2.992 0.632 4.233 0.00 0.00 -0.335 N ATOM 13 C LIG 1 -2.426 0.757 2.990 0.00 0.00 +0.141 A ATOM 14 C LIG 1 -3.445 1.032 2.083 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.092 1.203 0.729 0.00 0.00 -0.021 A ATOM 16 C LIG 1 -1.721 1.071 0.427 0.00 0.00 +0.034 A ATOM 17 C LIG 1 -0.785 0.780 1.424 0.00 0.00 +0.074 A ATOM 18 C LIG 1 -4.657 1.070 2.831 0.00 0.00 +0.029 A ATOM 19 N LIG 1 -1.112 0.627 2.728 0.00 0.00 -0.229 NA ATOM 20 C LIG 1 -4.348 0.820 4.152 0.00 0.00 +0.088 A BRANCH 15 21 ATOM 21 C LIG 1 -4.079 1.514 -0.372 0.00 0.00 +0.120 C BRANCH 21 22 ATOM 22 N LIG 1 -4.096 0.466 -1.403 0.00 0.00 -0.297 NA ATOM 23 C LIG 1 -5.164 0.744 -2.410 0.00 0.00 +0.097 C ATOM 24 C LIG 1 -5.581 -0.686 -2.250 0.00 0.00 +0.043 C ATOM 25 C LIG 1 -7.008 -1.087 -2.366 0.00 0.00 +0.171 C ATOM 26 O LIG 1 -6.670 -2.025 -3.430 0.00 0.00 -0.378 OA ATOM 27 C LIG 1 -5.256 -1.681 -3.313 0.00 0.00 +0.171 C ATOM 28 C LIG 1 -4.865 -0.730 -0.936 0.00 0.00 +0.097 C ENDBRANCH 21 22 ENDBRANCH 15 21 ENDBRANCH 1 17 BRANCH 5 29 ATOM 29 C LIG 1 5.633 -1.005 -1.997 0.00 0.00 +0.163 C ATOM 30 C LIG 1 6.195 0.249 -2.667 0.00 0.00 +0.240 C ATOM 31 O LIG 1 5.500 0.983 -3.371 0.00 0.00 -0.273 OA ATOM 32 N LIG 1 7.507 0.559 -2.416 0.00 0.00 -0.255 N ATOM 33 H LIG 1 7.854 1.398 -2.860 0.00 0.00 +0.158 HD ATOM 34 C LIG 1 8.376 -0.046 -1.548 0.00 0.00 +0.219 C ATOM 35 O LIG 1 9.521 0.382 -1.413 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 7.866 -1.226 -0.760 0.00 0.00 +0.098 C ATOM 37 C LIG 1 6.709 -1.935 -1.441 0.00 0.00 +0.041 C ENDBRANCH 5 29 TORSDOF 4