REMARK Name = BDB053026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.240 -0.328 0.092 0.00 0.00 +0.003 A ATOM 2 C LIG 1 -0.392 0.808 0.642 0.00 0.00 +0.037 A ATOM 3 C LIG 1 -1.786 0.910 0.553 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -2.579 -0.051 -0.058 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -3.904 0.444 0.074 0.00 0.00 +0.146 A ATOM 6 N LIG 1 -3.948 1.612 0.707 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -1.960 -1.183 -0.616 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -2.659 1.868 0.991 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -2.439 2.722 1.489 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -0.562 -1.302 -0.534 0.00 0.00 +0.011 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.741 0.609 0.199 0.00 0.00 +0.213 A ATOM 12 N LIG 1 2.412 0.688 0.113 0.00 0.00 -0.215 NA ATOM 13 C LIG 1 1.710 -0.468 0.178 0.00 0.00 +0.076 A ATOM 14 C LIG 1 2.341 -1.688 0.328 0.00 0.00 +0.048 A ATOM 15 C LIG 1 3.713 -1.656 0.393 0.00 0.00 +0.116 A ATOM 16 N LIG 1 4.433 -0.525 0.319 0.00 0.00 -0.223 NA BRANCH 11 17 ATOM 17 N LIG 1 4.456 1.785 0.108 0.00 0.00 -0.327 N ATOM 18 H LIG 1 3.916 2.470 -0.400 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 5.388 1.586 -0.228 0.00 0.00 +0.145 HD ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 5 20 ATOM 20 N LIG 1 -5.001 -0.173 -0.394 0.00 0.00 -0.341 N ATOM 21 H LIG 1 -4.916 -0.798 -1.185 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 -5.833 0.406 -0.434 0.00 0.00 +0.144 HD ENDBRANCH 5 20 TORSDOF 3