REMARK Name = BDB016088 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.600 2.408 -0.267 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.687 1.421 -0.176 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.593 1.752 0.088 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.977 3.078 0.294 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.036 4.012 0.178 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.319 3.712 -0.107 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.697 0.297 -0.995 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.375 0.677 -0.708 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.996 2.029 -0.567 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.003 2.998 -0.727 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.321 2.639 -1.016 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.665 1.295 -1.151 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 4.847 -4.638 -0.457 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.113 -3.284 -0.879 0.00 0.00 -0.274 N ATOM 15 N LIG 1 6.103 -3.048 -1.758 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.072 -1.721 -1.911 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.062 -1.102 -1.138 0.00 0.00 +0.020 A ATOM 18 C LIG 1 4.461 -2.155 -0.477 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.330 3.483 0.624 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -2.974 4.593 0.115 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.223 4.599 0.670 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.271 5.563 0.444 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.441 3.566 1.502 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.287 2.896 1.484 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.549 0.717 0.181 0.00 0.00 -0.327 N ATOM 26 H LIG 1 -2.342 0.962 -0.406 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.050 -0.627 -0.138 0.00 0.00 +0.124 C BRANCH 27 28 ATOM 28 C LIG 1 -2.164 -1.702 0.087 0.00 0.00 +0.032 C ATOM 29 C LIG 1 -2.441 -1.884 1.595 0.00 0.00 +0.023 C ATOM 30 C LIG 1 -3.505 -2.947 1.901 0.00 0.00 +0.002 C ATOM 31 C LIG 1 -3.575 -4.070 0.867 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -2.237 -4.300 0.182 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -1.691 -3.049 -0.518 0.00 0.00 +0.023 C BRANCH 28 34 ATOM 34 N LIG 1 -3.426 -1.295 -0.575 0.00 0.00 -0.323 NA ATOM 35 H LIG 1 -3.239 -0.999 -1.530 0.00 0.00 +0.119 HD ATOM 36 H LIG 1 -3.817 -0.493 -0.080 0.00 0.00 +0.119 HD ENDBRANCH 28 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7