REMARK Name = BDB039471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.213 -0.229 0.471 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -1.482 1.032 0.070 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -2.781 1.400 0.106 0.00 0.00 +0.146 A ATOM 4 C LIG 1 -3.833 0.600 0.557 0.00 0.00 +0.024 A ATOM 5 C LIG 1 -5.013 1.375 0.466 0.00 0.00 +0.030 A ATOM 6 C LIG 1 -4.663 2.611 -0.025 0.00 0.00 +0.094 A ATOM 7 C LIG 1 -3.542 -0.713 0.988 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -3.297 2.646 -0.269 0.00 0.00 -0.301 N ATOM 9 C LIG 1 -2.193 -1.104 0.932 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 4.849 -0.177 0.659 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.369 -1.412 0.247 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.000 -2.398 -0.079 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 2.905 -1.321 0.253 0.00 0.00 +0.042 A ATOM 14 C LIG 1 2.555 -0.016 0.582 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.220 0.351 0.654 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.216 -0.611 0.398 0.00 0.00 +0.001 A ATOM 17 C LIG 1 0.619 -1.930 0.055 0.00 0.00 +0.011 A ATOM 18 C LIG 1 1.968 -2.295 -0.020 0.00 0.00 +0.014 A ATOM 19 C LIG 1 3.781 0.806 0.784 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 10.196 0.129 -0.636 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.022 0.081 -0.278 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.005 0.383 -1.148 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.282 0.612 -2.092 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.665 0.526 -0.865 0.00 0.00 +0.240 C ATOM 25 O LIG 1 5.897 0.970 -1.717 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.248 0.230 0.584 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.213 -0.765 1.229 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.629 -0.217 1.150 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 -2.588 3.774 -0.809 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -3.200 5.039 -0.862 0.00 0.00 +0.026 A ATOM 31 C LIG 1 -2.519 6.141 -1.391 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -1.224 5.997 -1.878 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -0.608 4.750 -1.836 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -1.284 3.646 -1.306 0.00 0.00 +0.026 A ENDBRANCH 8 29 BRANCH 7 35 ATOM 35 C LIG 1 -4.580 -1.687 1.500 0.00 0.00 +0.120 C BRANCH 35 36 ATOM 36 N LIG 1 -4.640 -2.918 0.706 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 -5.537 -3.909 1.301 0.00 0.00 +0.085 C ATOM 38 C LIG 1 -5.737 -4.909 0.174 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -5.519 -4.111 -1.107 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -5.165 -2.704 -0.646 0.00 0.00 +0.085 C ENDBRANCH 35 36 ENDBRANCH 7 35 TORSDOF 5