REMARK Name = BDB042083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.422 2.178 -0.333 0.00 0.00 -0.297 NA ATOM 2 C LIG 1 -0.682 1.737 0.551 0.00 0.00 +0.093 C ATOM 3 C LIG 1 -0.980 0.601 -0.473 0.00 0.00 -0.001 C ATOM 4 C LIG 1 -2.003 0.937 -1.565 0.00 0.00 +0.025 C ATOM 5 C LIG 1 -3.422 0.829 -1.000 0.00 0.00 +0.086 C ATOM 6 N LIG 1 -3.658 -0.506 -0.434 0.00 0.00 -0.292 NA ATOM 7 C LIG 1 -2.716 -0.799 0.654 0.00 0.00 +0.086 C ATOM 8 C LIG 1 -1.277 -0.771 0.132 0.00 0.00 +0.025 C ATOM 9 C LIG 1 0.502 0.807 -0.896 0.00 0.00 +0.093 C ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 1.615 2.509 0.449 0.00 0.00 +0.120 C BRANCH 10 16 ATOM 11 N LIG 1 5.720 0.663 -0.107 0.00 0.00 -0.282 N ATOM 12 C LIG 1 6.107 1.526 -1.121 0.00 0.00 +0.248 C ATOM 13 O LIG 1 7.133 1.513 -1.772 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 5.015 2.489 -1.300 0.00 0.00 +0.042 A ATOM 15 C LIG 1 3.964 2.124 -0.455 0.00 0.00 -0.014 A ATOM 16 C LIG 1 2.789 2.867 -0.433 0.00 0.00 -0.028 A ATOM 17 C LIG 1 2.722 3.988 -1.287 0.00 0.00 +0.005 A ATOM 18 C LIG 1 3.792 4.339 -2.131 0.00 0.00 +0.001 A ATOM 19 C LIG 1 4.960 3.580 -2.144 0.00 0.00 +0.013 A ATOM 20 C LIG 1 4.340 0.889 0.296 0.00 0.00 +0.145 C BRANCH 11 27 ATOM 21 O LIG 1 8.937 -3.808 -0.287 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 8.242 -2.801 -0.179 0.00 0.00 +0.219 C ATOM 23 N LIG 1 7.111 -2.639 -0.939 0.00 0.00 -0.255 N ATOM 24 H LIG 1 6.913 -3.377 -1.601 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 6.143 -1.669 -0.815 0.00 0.00 +0.240 C ATOM 26 O LIG 1 5.086 -1.765 -1.437 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 6.415 -0.575 0.230 0.00 0.00 +0.163 C ATOM 28 C LIG 1 7.918 -0.401 0.448 0.00 0.00 +0.041 C ATOM 29 C LIG 1 8.526 -1.735 0.852 0.00 0.00 +0.098 C ENDBRANCH 11 27 ENDBRANCH 10 16 ENDBRANCH 1 10 BRANCH 6 30 ATOM 30 C LIG 1 -5.090 -0.743 -0.101 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 C LIG 1 -5.576 0.029 1.136 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -5.402 -0.468 2.441 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.848 0.257 3.548 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.472 1.488 3.371 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.654 1.998 2.087 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.210 1.274 0.979 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -5.494 -2.234 -0.132 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -6.757 -2.643 0.339 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -7.157 -3.981 0.275 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.312 -4.936 -0.282 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.074 -4.551 -0.787 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -4.675 -3.213 -0.724 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 6 30 TORSDOF 6