REMARK Name = BDB050430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.059 -1.441 -0.287 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -0.067 -0.928 0.353 0.00 0.00 +0.045 A ATOM 3 C LIG 1 -0.287 -1.422 1.643 0.00 0.00 +0.129 A ATOM 4 N LIG 1 0.529 -2.304 2.238 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 1.594 -2.709 1.552 0.00 0.00 +0.214 A ATOM 6 N LIG 1 1.888 -2.330 0.308 0.00 0.00 -0.219 NA ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -0.954 0.065 -0.253 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -0.803 1.438 0.027 0.00 0.00 +0.054 A ATOM 9 C LIG 1 -1.644 2.415 -0.508 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -1.202 3.672 -0.012 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -0.117 3.444 0.802 0.00 0.00 +0.083 A ATOM 12 C LIG 1 -2.687 2.019 -1.366 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -2.860 0.663 -1.659 0.00 0.00 +0.001 A ATOM 14 N LIG 1 0.119 2.096 0.818 0.00 0.00 -0.360 N ATOM 15 H LIG 1 0.867 1.642 1.328 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 -2.010 -0.295 -1.110 0.00 0.00 +0.011 A ENDBRANCH 2 7 BRANCH 3 17 ATOM 17 N LIG 1 -1.409 -1.022 2.394 0.00 0.00 -0.343 N ATOM 18 H LIG 1 -1.419 -0.009 2.480 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 -2.253 -1.272 1.884 0.00 0.00 +0.144 HD ENDBRANCH 3 17 BRANCH 5 20 ATOM 20 N LIG 1 2.433 -3.622 2.155 0.00 0.00 -0.327 N ATOM 21 H LIG 1 2.902 -4.171 1.448 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 1.921 -4.121 2.869 0.00 0.00 +0.145 HD ENDBRANCH 5 20 BRANCH 1 24 ATOM 23 C LIG 1 2.482 0.112 -1.655 0.00 0.00 +0.010 C ATOM 24 C LIG 1 1.473 -1.026 -1.678 0.00 0.00 +0.053 C ENDBRANCH 1 24 TORSDOF 4