REMARK Name = BDB056925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.132 -3.247 -1.293 0.00 0.00 +0.217 A ATOM 2 N LIG 1 -5.455 -2.283 -0.418 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -4.417 -1.495 -0.097 0.00 0.00 +0.164 A ATOM 4 C LIG 1 -3.123 -1.596 -0.567 0.00 0.00 +0.065 A ATOM 5 C LIG 1 -2.408 -0.534 0.060 0.00 0.00 +0.105 A ATOM 6 N LIG 1 -3.209 0.154 0.895 0.00 0.00 -0.169 NA ATOM 7 C LIG 1 -2.884 -2.640 -1.449 0.00 0.00 +0.128 A ATOM 8 N LIG 1 -4.419 -0.430 0.755 0.00 0.00 -0.245 N ATOM 9 N LIG 1 -3.904 -3.459 -1.804 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -1.005 -0.167 -0.091 0.00 0.00 +0.021 A ATOM 11 C LIG 1 -0.279 0.337 0.979 0.00 0.00 +0.123 A ATOM 12 N LIG 1 1.033 0.688 0.923 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 1.691 0.554 -0.247 0.00 0.00 +0.121 A ATOM 14 C LIG 1 1.019 0.086 -1.378 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -0.329 -0.278 -1.302 0.00 0.00 +0.015 A BRANCH 13 16 ATOM 16 N LIG 1 3.027 0.932 -0.315 0.00 0.00 -0.312 N ATOM 17 C LIG 1 3.962 0.098 -1.084 0.00 0.00 +0.125 C ATOM 18 C LIG 1 5.263 -0.202 -0.309 0.00 0.00 +0.126 C ATOM 19 N LIG 1 5.923 0.997 0.218 0.00 0.00 -0.298 N ATOM 20 C LIG 1 7.276 1.205 0.438 0.00 0.00 +0.221 C ATOM 21 O LIG 1 7.652 2.302 0.871 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 5.006 2.076 0.631 0.00 0.00 +0.126 C ATOM 23 C LIG 1 3.567 1.595 0.882 0.00 0.00 +0.125 C BRANCH 20 24 ATOM 24 C LIG 1 8.338 0.116 0.121 0.00 0.00 +0.039 C ATOM 25 C LIG 1 8.538 -0.031 -1.394 0.00 0.00 +0.020 C ATOM 26 C LIG 1 9.694 0.598 0.703 0.00 0.00 +0.020 C ATOM 27 C LIG 1 8.030 -1.229 0.795 0.00 0.00 +0.020 C ENDBRANCH 20 24 ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 29 ATOM 28 C LIG 1 -7.091 -4.492 -0.748 0.00 0.00 +0.128 C ATOM 29 N LIG 1 -6.103 -4.135 -1.740 0.00 0.00 -0.316 N ATOM 30 H LIG 1 -5.594 -4.913 -2.146 0.00 0.00 +0.149 HD ENDBRANCH 1 29 BRANCH 8 31 ATOM 31 C LIG 1 -5.560 0.078 1.493 0.00 0.00 +0.149 C BRANCH 31 32 ATOM 32 C LIG 1 -6.432 1.015 0.660 0.00 0.00 +0.010 C ATOM 33 C LIG 1 -5.761 2.341 0.305 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -6.919 3.265 -0.061 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -8.159 2.686 0.620 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -7.675 1.480 1.416 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 6