REMARK Name = BDB056926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.323 3.194 -1.252 0.00 0.00 +0.217 A ATOM 2 N LIG 1 1.686 1.960 -1.630 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 0.752 1.031 -1.368 0.00 0.00 +0.164 A ATOM 4 C LIG 1 -0.482 1.239 -0.784 0.00 0.00 +0.065 A ATOM 5 C LIG 1 -1.099 -0.044 -0.731 0.00 0.00 +0.105 A ATOM 6 N LIG 1 -0.306 -0.978 -1.288 0.00 0.00 -0.168 NA ATOM 7 C LIG 1 -0.774 2.553 -0.450 0.00 0.00 +0.128 A ATOM 8 N LIG 1 0.827 -0.312 -1.615 0.00 0.00 -0.240 N ATOM 9 N LIG 1 0.144 3.521 -0.687 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.410 -0.403 -0.201 0.00 0.00 +0.021 A ATOM 11 C LIG 1 -3.164 -1.413 -0.780 0.00 0.00 +0.123 A ATOM 12 N LIG 1 -4.399 -1.793 -0.358 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 -4.946 -1.162 0.702 0.00 0.00 +0.121 A ATOM 14 C LIG 1 -4.230 -0.164 1.365 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -2.962 0.220 0.913 0.00 0.00 +0.015 A BRANCH 13 16 ATOM 16 N LIG 1 -6.204 -1.562 1.167 0.00 0.00 -0.313 N ATOM 17 C LIG 1 -6.755 -2.751 0.475 0.00 0.00 +0.121 C ATOM 18 C LIG 1 -8.242 -2.988 0.847 0.00 0.00 +0.100 C ATOM 19 N LIG 1 -8.596 -2.497 2.192 0.00 0.00 -0.313 NA ATOM 20 H LIG 1 -7.905 -2.908 2.826 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -8.375 -1.035 2.240 0.00 0.00 +0.100 C ATOM 22 C LIG 1 -7.198 -0.498 1.382 0.00 0.00 +0.121 C ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 24 ATOM 23 C LIG 1 1.731 5.481 -1.793 0.00 0.00 +0.128 C ATOM 24 N LIG 1 2.276 4.179 -1.481 0.00 0.00 -0.316 N ATOM 25 H LIG 1 2.913 3.801 -2.173 0.00 0.00 +0.149 HD ENDBRANCH 1 24 BRANCH 8 26 ATOM 26 C LIG 1 1.941 -1.006 -2.240 0.00 0.00 +0.204 C BRANCH 26 27 ATOM 27 C LIG 1 2.994 -1.339 -1.250 0.00 0.00 +0.104 A ATOM 28 N LIG 1 3.334 -2.644 -0.996 0.00 0.00 -0.133 NA ATOM 29 N LIG 1 4.311 -2.655 -0.099 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 4.598 -1.375 0.203 0.00 0.00 -0.247 N ATOM 31 C LIG 1 3.801 -0.515 -0.492 0.00 0.00 +0.135 A BRANCH 30 32 ATOM 32 C LIG 1 5.606 -1.057 1.196 0.00 0.00 +0.180 C BRANCH 32 33 ATOM 33 C LIG 1 6.837 -0.454 0.567 0.00 0.00 -0.026 A ATOM 34 C LIG 1 7.123 0.910 0.720 0.00 0.00 +0.005 A ATOM 35 C LIG 1 8.261 1.464 0.131 0.00 0.00 +0.000 A ATOM 36 C LIG 1 9.121 0.663 -0.617 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.846 -0.693 -0.778 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.710 -1.250 -0.190 0.00 0.00 +0.005 A ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 7