REMARK Name = BDB039488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.856 1.279 0.001 0.00 0.00 -0.323 N ATOM 2 C LIG 1 -2.974 0.364 -0.515 0.00 0.00 +0.142 A ATOM 3 C LIG 1 -3.710 -0.602 -1.195 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -3.010 -1.675 -1.787 0.00 0.00 -0.021 A ATOM 5 C LIG 1 -1.610 -1.649 -1.639 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -0.976 -0.619 -0.937 0.00 0.00 +0.074 A ATOM 7 C LIG 1 -5.077 -0.214 -1.100 0.00 0.00 +0.029 A ATOM 8 N LIG 1 -1.638 0.416 -0.369 0.00 0.00 -0.229 NA ATOM 9 C LIG 1 -5.138 0.947 -0.361 0.00 0.00 +0.089 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 0.491 -0.582 -0.759 0.00 0.00 +0.001 A ATOM 11 C LIG 1 1.186 0.644 -0.870 0.00 0.00 +0.016 A ATOM 12 C LIG 1 2.558 0.670 -0.682 0.00 0.00 -0.017 A ATOM 13 C LIG 1 3.503 1.824 -0.725 0.00 0.00 +0.144 C ATOM 14 N LIG 1 4.793 1.185 -0.495 0.00 0.00 -0.282 N ATOM 15 C LIG 1 4.663 -0.167 -0.210 0.00 0.00 +0.248 C ATOM 16 O LIG 1 5.530 -0.948 0.125 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 3.245 -0.500 -0.378 0.00 0.00 +0.042 A ATOM 18 C LIG 1 2.615 -1.722 -0.255 0.00 0.00 +0.014 A ATOM 19 C LIG 1 1.230 -1.754 -0.449 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 6.012 1.923 -0.185 0.00 0.00 +0.163 C ATOM 21 C LIG 1 5.937 2.630 1.181 0.00 0.00 +0.240 C ATOM 22 O LIG 1 5.043 2.457 2.007 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 6.953 3.525 1.432 0.00 0.00 -0.255 N ATOM 24 H LIG 1 6.877 4.002 2.322 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 7.633 4.231 0.474 0.00 0.00 +0.219 C ATOM 26 O LIG 1 8.180 5.297 0.741 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 7.680 3.620 -0.909 0.00 0.00 +0.098 C ATOM 28 C LIG 1 6.358 2.954 -1.258 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 6 10 BRANCH 1 29 ATOM 29 C LIG 1 -3.476 2.441 0.788 0.00 0.00 +0.219 C BRANCH 29 32 ATOM 30 C LIG 1 -2.128 1.774 4.328 0.00 0.00 +0.131 C ATOM 31 N LIG 1 -2.159 2.162 2.924 0.00 0.00 -0.306 N ATOM 32 C LIG 1 -3.390 2.109 2.269 0.00 0.00 +0.235 C ATOM 33 O LIG 1 -4.431 1.829 2.880 0.00 0.00 -0.274 OA ATOM 34 C LIG 1 -0.866 2.135 2.255 0.00 0.00 +0.131 C ENDBRANCH 29 32 ENDBRANCH 1 29 BRANCH 4 35 ATOM 35 C LIG 1 -3.678 -2.790 -2.560 0.00 0.00 +0.120 C BRANCH 35 36 ATOM 36 N LIG 1 -4.036 -3.999 -1.821 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 -2.934 -4.780 -1.278 0.00 0.00 +0.085 C ATOM 38 C LIG 1 -3.655 -5.819 -0.427 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -5.000 -5.190 -0.075 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -4.973 -3.812 -0.720 0.00 0.00 +0.085 C ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 6