REMARK Name = BDB064531 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.884 0.365 0.999 0.00 0.00 +0.049 A ATOM 2 C LIG 1 1.390 -0.955 1.112 0.00 0.00 -0.004 A ATOM 3 C LIG 1 0.074 -1.214 0.647 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.408 -2.539 0.724 0.00 0.00 +0.010 A ATOM 5 C LIG 1 0.360 -3.578 1.251 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.637 -3.317 1.722 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -0.718 -0.153 0.112 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -0.189 1.148 0.066 0.00 0.00 +0.024 A ATOM 9 C LIG 1 2.147 -2.022 1.655 0.00 0.00 +0.009 A ATOM 10 C LIG 1 1.105 1.410 0.500 0.00 0.00 +0.016 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.437 0.143 -0.801 0.00 0.00 +0.219 A ATOM 12 N LIG 1 4.370 0.549 0.530 0.00 0.00 -0.162 N ATOM 13 C LIG 1 3.265 0.692 1.390 0.00 0.00 +0.282 C ATOM 14 O LIG 1 3.432 1.111 2.536 0.00 0.00 -0.265 OA ATOM 15 N LIG 1 5.622 0.844 0.968 0.00 0.00 -0.139 NA ATOM 16 C LIG 1 6.384 0.649 -0.117 0.00 0.00 +0.202 A ATOM 17 N LIG 1 5.674 0.219 -1.220 0.00 0.00 -0.192 NA BRANCH 16 18 ATOM 18 C LIG 1 7.840 0.856 -0.166 0.00 0.00 +0.110 A ATOM 19 N LIG 1 8.465 1.228 0.982 0.00 0.00 -0.252 NA ATOM 20 C LIG 1 9.801 1.418 0.933 0.00 0.00 +0.111 A ATOM 21 C LIG 1 10.561 1.254 -0.212 0.00 0.00 +0.020 A ATOM 22 C LIG 1 9.913 0.872 -1.381 0.00 0.00 +0.004 A ATOM 23 C LIG 1 8.534 0.670 -1.361 0.00 0.00 +0.031 A ENDBRANCH 16 18 BRANCH 11 24 ATOM 24 N LIG 1 3.404 -0.253 -1.578 0.00 0.00 -0.327 N ATOM 25 H LIG 1 3.691 -0.631 -2.479 0.00 0.00 +0.145 HD ATOM 26 H LIG 1 2.654 -0.818 -1.188 0.00 0.00 +0.145 HD ENDBRANCH 11 24 ENDBRANCH 1 13 BRANCH 7 27 ATOM 27 N LIG 1 -2.036 -0.411 -0.312 0.00 0.00 -0.327 N ATOM 28 C LIG 1 -3.053 -0.130 0.729 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -4.032 0.994 0.310 0.00 0.00 +0.103 C ATOM 30 N LIG 1 -4.692 0.818 -1.002 0.00 0.00 -0.296 NA ATOM 31 C LIG 1 -3.914 -0.077 -1.888 0.00 0.00 +0.103 C ATOM 32 C LIG 1 -2.390 0.045 -1.672 0.00 0.00 +0.120 C BRANCH 30 33 ATOM 33 C LIG 1 -6.109 0.456 -0.975 0.00 0.00 +0.057 C ATOM 34 C LIG 1 -7.029 1.564 -0.447 0.00 0.00 +0.019 C ATOM 35 C LIG 1 -8.364 0.859 -0.206 0.00 0.00 +0.002 C ATOM 36 C LIG 1 -8.047 -0.632 -0.075 0.00 0.00 +0.002 C ATOM 37 C LIG 1 -6.526 -0.746 -0.123 0.00 0.00 +0.019 C ENDBRANCH 30 33 ENDBRANCH 7 27 TORSDOF 5