REMARK Name = BDB025208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.908 0.249 0.310 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.762 -0.565 0.368 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.930 -2.004 0.660 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.975 -2.256 2.173 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.887 -2.860 -0.052 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.493 -2.448 0.359 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.309 -0.962 0.242 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.996 -0.443 0.149 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.195 -1.122 0.135 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.149 -0.225 0.024 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -0.600 1.049 -0.015 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.776 0.920 0.050 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.828 1.832 0.029 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.129 1.314 0.133 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.407 -0.059 0.244 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.955 1.440 0.026 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.300 2.329 -0.146 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.938 2.495 -1.537 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -2.641 3.853 -1.710 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.410 4.309 -0.462 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.605 3.195 0.560 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.267 2.620 1.020 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.645 4.930 -2.112 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.458 4.910 -1.831 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.211 5.951 -2.791 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.170 5.859 -2.947 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.250 0.331 0.564 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.052 -0.445 0.609 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.488 -0.432 -0.034 0.00 0.00 -0.284 N ATOM 30 H LIG 1 -3.116 0.358 -0.021 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.176 -1.662 -0.074 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -4.574 -1.679 0.010 0.00 0.00 +0.138 A ATOM 33 N LIG 1 -5.359 -2.785 -0.015 0.00 0.00 -0.219 NA ATOM 34 C LIG 1 -4.715 -3.964 -0.125 0.00 0.00 +0.214 A ATOM 35 C LIG 1 -3.339 -4.077 -0.212 0.00 0.00 +0.069 A ATOM 36 C LIG 1 -2.568 -2.912 -0.185 0.00 0.00 +0.030 A BRANCH 34 37 ATOM 37 O LIG 1 -5.430 -5.144 -0.158 0.00 0.00 -0.480 OA ATOM 38 C LIG 1 -6.836 -4.948 -0.051 0.00 0.00 +0.279 C ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7