REMARK Name = BDB010286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.780 -1.302 -0.332 0.00 0.00 +0.130 A ATOM 2 N LIG 1 -0.493 -0.845 -0.077 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.394 -1.807 -0.523 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.422 -2.785 -1.069 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.016 -3.929 -1.617 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 1.355 -4.031 -1.550 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.229 -3.151 -1.026 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.776 -1.998 -0.495 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.737 -2.468 -0.955 0.00 0.00 -0.211 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -5.268 0.485 2.092 0.00 0.00 +0.007 C ATOM 11 C LIG 1 -4.918 -0.988 1.861 0.00 0.00 -0.011 C ATOM 12 C LIG 1 -3.436 -1.169 1.516 0.00 0.00 +0.030 C ATOM 13 C LIG 1 -3.057 -0.605 0.120 0.00 0.00 +0.123 C ATOM 14 N LIG 1 -4.194 -0.668 -0.828 0.00 0.00 -0.296 NA ATOM 15 C LIG 1 -3.843 -0.544 -2.236 0.00 0.00 +0.105 C ATOM 16 C LIG 1 -5.073 -1.806 -0.575 0.00 0.00 +0.085 C ATOM 17 C LIG 1 -5.799 -1.614 0.763 0.00 0.00 +0.018 C ENDBRANCH 1 13 BRANCH 6 18 ATOM 18 C LIG 1 1.911 -5.297 -2.144 0.00 0.00 +0.375 C ATOM 19 O LIG 1 3.090 -5.600 -2.211 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 0.910 -6.091 -2.621 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 0.036 -5.660 -2.467 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 2.666 -1.086 0.065 0.00 0.00 -0.324 N ATOM 23 H LIG 1 2.419 -0.135 -0.170 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 4.106 -1.356 -0.072 0.00 0.00 +0.072 C ATOM 25 C LIG 1 4.549 -2.316 1.033 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 4.867 -0.013 -0.030 0.00 0.00 +0.009 C ATOM 27 C LIG 1 4.921 0.814 1.282 0.00 0.00 +0.005 C ATOM 28 C LIG 1 6.374 0.347 1.477 0.00 0.00 +0.001 C ATOM 29 C LIG 1 6.418 -0.017 -0.017 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 30 ATOM 30 C LIG 1 -0.136 0.355 0.664 0.00 0.00 +0.127 C BRANCH 30 31 ATOM 31 C LIG 1 0.341 1.538 -0.209 0.00 0.00 +0.009 C ATOM 32 C LIG 1 1.085 2.551 0.688 0.00 0.00 +0.005 C ATOM 33 C LIG 1 1.029 3.965 0.123 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -0.419 4.482 0.062 0.00 0.00 -0.014 C ATOM 35 C LIG 1 -0.525 5.629 -0.944 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -1.432 3.364 -0.250 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -0.789 2.211 -1.012 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 8