REMARK Name = BDB045050 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.269 0.516 -0.599 0.00 0.00 +0.224 C ATOM 2 N LIG 1 -0.983 -0.673 -0.569 0.00 0.00 -0.256 N ATOM 3 H LIG 1 -0.688 -1.403 -1.206 0.00 0.00 +0.158 HD ATOM 4 O LIG 1 -0.482 1.482 0.132 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -2.026 -0.988 0.262 0.00 0.00 +0.188 C ATOM 6 N LIG 1 -2.564 -2.147 0.121 0.00 0.00 -0.270 NA ATOM 7 H LIG 1 -2.111 -2.680 -0.621 0.00 0.00 +0.190 HD BRANCH 5 8 ATOM 8 N LIG 1 -2.435 -0.086 1.188 0.00 0.00 -0.354 N ATOM 9 H LIG 1 -2.036 0.846 1.086 0.00 0.00 +0.163 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.737 -0.115 1.809 0.00 0.00 +0.151 C BRANCH 10 11 ATOM 11 C LIG 1 -4.718 0.699 1.000 0.00 0.00 -0.028 A ATOM 12 C LIG 1 -5.444 0.101 -0.040 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -6.338 0.852 -0.804 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -6.510 2.210 -0.541 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -5.784 2.819 0.482 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -4.889 2.069 1.247 0.00 0.00 +0.005 A ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 5 8 ENDBRANCH 2 5 BRANCH 1 17 ATOM 17 C LIG 1 0.845 0.535 -1.632 0.00 0.00 +0.133 C BRANCH 17 22 ATOM 18 C LIG 1 4.131 0.287 0.284 0.00 0.00 +0.162 A ATOM 19 C LIG 1 4.611 -0.988 -0.074 0.00 0.00 +0.164 A ATOM 20 C LIG 1 3.854 -1.797 -0.923 0.00 0.00 +0.082 A ATOM 21 C LIG 1 2.627 -1.329 -1.421 0.00 0.00 +0.133 A ATOM 22 C LIG 1 2.138 -0.048 -1.105 0.00 0.00 -0.005 A ATOM 23 C LIG 1 2.911 0.745 -0.235 0.00 0.00 +0.055 A BRANCH 21 24 ATOM 24 N LIG 1 1.872 -2.243 -2.275 0.00 0.00 +0.057 N ATOM 25 O LIG 1 0.657 -2.360 -2.049 0.00 0.00 -0.126 OA ATOM 26 O LIG 1 2.494 -2.842 -3.160 0.00 0.00 -0.126 OA ENDBRANCH 21 24 BRANCH 18 28 ATOM 27 C LIG 1 4.400 2.218 1.671 0.00 0.00 +0.277 C ATOM 28 O LIG 1 4.931 1.015 1.129 0.00 0.00 -0.491 OA ENDBRANCH 18 28 BRANCH 19 29 ATOM 29 O LIG 1 5.818 -1.351 0.469 0.00 0.00 -0.491 OA ATOM 30 C LIG 1 6.377 -2.599 0.080 0.00 0.00 +0.277 C ENDBRANCH 19 29 ENDBRANCH 17 22 ENDBRANCH 1 17 TORSDOF 9