REMARK Name = BDB055482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.126 -2.514 1.256 0.00 0.00 +0.214 A ATOM 2 N LIG 1 0.097 -2.008 1.109 0.00 0.00 -0.215 NA ATOM 3 C LIG 1 0.199 -0.797 0.523 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -0.914 -0.115 0.068 0.00 0.00 +0.057 A ATOM 5 C LIG 1 -2.142 -0.724 0.247 0.00 0.00 +0.077 A ATOM 6 N LIG 1 -2.248 -1.935 0.833 0.00 0.00 -0.215 NA ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 1.572 -0.264 0.388 0.00 0.00 +0.003 A ATOM 8 C LIG 1 1.845 1.113 0.535 0.00 0.00 +0.037 A ATOM 9 C LIG 1 3.169 1.551 0.390 0.00 0.00 +0.068 A ATOM 10 C LIG 1 4.226 0.695 0.112 0.00 0.00 +0.041 A ATOM 11 C LIG 1 5.365 1.541 0.050 0.00 0.00 +0.146 A ATOM 12 N LIG 1 5.061 2.815 0.276 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 3.965 -0.678 -0.031 0.00 0.00 +0.014 A ATOM 14 N LIG 1 3.734 2.795 0.476 0.00 0.00 -0.275 N ATOM 15 H LIG 1 3.268 3.673 0.670 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 2.645 -1.134 0.114 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 6.617 1.122 -0.191 0.00 0.00 -0.341 N ATOM 18 H LIG 1 6.871 0.168 0.033 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 7.347 1.790 0.033 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 3 7 BRANCH 5 20 ATOM 20 C LIG 1 -3.412 -0.114 -0.201 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -3.615 1.279 -0.201 0.00 0.00 +0.010 A ATOM 22 C LIG 1 -4.821 1.840 -0.635 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.855 1.019 -1.074 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.686 -0.362 -1.075 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -4.480 -0.919 -0.641 0.00 0.00 +0.010 A ENDBRANCH 5 20 BRANCH 1 26 ATOM 26 N LIG 1 -1.234 -3.754 1.849 0.00 0.00 -0.327 N ATOM 27 H LIG 1 -0.368 -4.263 1.748 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 -2.084 -4.208 1.547 0.00 0.00 +0.145 HD ENDBRANCH 1 26 TORSDOF 4