REMARK Name = BDB021252 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.365 0.250 -0.118 0.00 0.00 +0.045 A ATOM 2 C LIG 1 1.489 0.220 1.008 0.00 0.00 +0.151 A ATOM 3 N LIG 1 0.133 0.293 0.749 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -0.511 0.308 1.963 0.00 0.00 +0.134 A ATOM 5 C LIG 1 0.488 0.200 2.902 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -0.387 0.377 -0.554 0.00 0.00 +0.202 A ATOM 7 N LIG 1 0.422 0.441 -1.575 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 1.723 0.142 2.305 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 1.778 0.381 -1.328 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 6.588 0.038 0.100 0.00 0.00 +0.214 A ATOM 11 N LIG 1 5.956 -0.735 -0.807 0.00 0.00 -0.221 NA ATOM 12 C LIG 1 4.604 -0.643 -0.843 0.00 0.00 +0.123 A ATOM 13 C LIG 1 3.841 0.197 -0.031 0.00 0.00 +0.005 A ATOM 14 C LIG 1 4.539 0.971 0.900 0.00 0.00 +0.015 A ATOM 15 C LIG 1 5.930 0.895 0.967 0.00 0.00 +0.068 A BRANCH 10 17 ATOM 16 C LIG 1 8.566 -0.915 -0.704 0.00 0.00 +0.279 C ATOM 17 O LIG 1 7.963 0.003 0.203 0.00 0.00 -0.480 OA ENDBRANCH 10 17 ENDBRANCH 1 13 BRANCH 5 18 ATOM 18 C LIG 1 0.335 0.166 4.324 0.00 0.00 +0.121 C ATOM 19 N LIG 1 0.166 0.143 5.473 0.00 0.00 -0.189 NA ENDBRANCH 5 18 BRANCH 6 20 ATOM 20 N LIG 1 -1.748 0.421 -0.771 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -1.882 0.693 -1.746 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.543 -0.785 -0.541 0.00 0.00 +0.143 C BRANCH 22 23 ATOM 23 C LIG 1 -3.963 -0.553 -0.970 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -4.786 0.400 -0.376 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -4.492 1.393 0.686 0.00 0.00 +0.080 C ATOM 26 C LIG 1 -5.916 1.855 0.999 0.00 0.00 +0.234 C ATOM 27 O LIG 1 -6.761 1.581 -0.142 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 -6.091 0.592 -0.813 0.00 0.00 +0.124 A ATOM 29 C LIG 1 -6.640 -0.142 -1.845 0.00 0.00 +0.049 A ATOM 30 C LIG 1 -5.842 -1.114 -2.445 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -4.525 -1.312 -2.006 0.00 0.00 +0.129 A ATOM 32 F LIG 1 -3.788 -2.254 -2.612 0.00 0.00 -0.205 F ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 6