REMARK Name = BDB057434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.301 -0.549 -0.083 0.00 0.00 +0.032 A ATOM 2 C LIG 1 0.377 0.504 -0.216 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -0.998 0.314 -0.320 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -1.499 -0.988 -0.293 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.897 -1.104 -0.416 0.00 0.00 +0.136 A ATOM 6 N LIG 1 -3.691 -0.023 -0.512 0.00 0.00 -0.212 NA ATOM 7 C LIG 1 -3.110 1.185 -0.523 0.00 0.00 +0.162 A ATOM 8 C LIG 1 -0.595 -2.066 -0.135 0.00 0.00 +0.015 A ATOM 9 N LIG 1 -1.785 1.387 -0.437 0.00 0.00 -0.227 NA ATOM 10 C LIG 1 0.781 -1.842 -0.031 0.00 0.00 +0.024 A ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 5.537 0.014 -0.251 0.00 0.00 +0.101 C ATOM 12 C LIG 1 4.897 -0.672 0.959 0.00 0.00 +0.033 C ATOM 13 C LIG 1 3.549 -1.286 0.593 0.00 0.00 +0.106 C ATOM 14 N LIG 1 2.673 -0.256 0.020 0.00 0.00 -0.330 N ATOM 15 C LIG 1 3.221 0.406 -1.178 0.00 0.00 +0.106 C ATOM 16 C LIG 1 4.567 1.042 -0.844 0.00 0.00 +0.033 C BRANCH 11 17 ATOM 17 C LIG 1 6.847 0.671 0.141 0.00 0.00 +0.310 C ATOM 18 O LIG 1 7.080 1.869 0.077 0.00 0.00 -0.251 OA BRANCH 17 19 ATOM 19 O LIG 1 7.738 -0.279 0.547 0.00 0.00 -0.465 OA BRANCH 19 21 ATOM 20 C LIG 1 9.010 0.608 2.406 0.00 0.00 +0.048 C ATOM 21 C LIG 1 9.030 0.204 0.944 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 1 14 BRANCH 7 22 ATOM 22 C LIG 1 -3.985 2.369 -0.640 0.00 0.00 +0.019 A ATOM 23 C LIG 1 -5.376 2.240 -0.827 0.00 0.00 +0.011 A ATOM 24 C LIG 1 -6.208 3.360 -0.937 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -5.667 4.639 -0.862 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.297 4.800 -0.679 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -3.468 3.678 -0.570 0.00 0.00 +0.011 A ENDBRANCH 7 22 BRANCH 5 28 ATOM 28 N LIG 1 -3.485 -2.392 -0.414 0.00 0.00 -0.282 N ATOM 29 H LIG 1 -2.983 -3.019 -1.030 0.00 0.00 +0.155 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.781 -2.738 -0.269 0.00 0.00 +0.146 A ATOM 31 N LIG 1 -5.268 -3.890 -0.738 0.00 0.00 -0.158 NA ATOM 32 N LIG 1 -6.562 -3.871 -0.384 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -7.143 -4.658 -0.652 0.00 0.00 +0.189 HD ATOM 34 C LIG 1 -6.924 -2.760 0.323 0.00 0.00 +0.035 A ATOM 35 C LIG 1 -8.298 -2.544 0.822 0.00 0.00 +0.065 C ATOM 36 C LIG 1 -5.776 -2.005 0.419 0.00 0.00 +0.068 A ENDBRANCH 28 30 ENDBRANCH 5 28 TORSDOF 7