REMARK Name = BDB011356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.932 0.639 -0.258 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.126 -0.424 0.174 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.170 -0.049 -0.028 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.525 -0.627 0.168 0.00 0.00 +0.155 C ATOM 5 N LIG 1 -2.323 0.455 -0.467 0.00 0.00 -0.279 N ATOM 6 C LIG 1 -1.563 1.544 -0.905 0.00 0.00 +0.250 C ATOM 7 O LIG 1 -1.953 2.571 -1.432 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.204 1.182 -0.622 0.00 0.00 +0.060 A ATOM 9 C LIG 1 1.101 1.644 -0.753 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.767 0.340 -0.650 0.00 0.00 +0.112 C ATOM 11 C LIG 1 -4.208 0.433 -2.107 0.00 0.00 +0.133 C ATOM 12 N LIG 1 -5.651 0.274 -2.235 0.00 0.00 -0.287 N ATOM 13 C LIG 1 -6.151 -0.048 -3.560 0.00 0.00 +0.133 C ATOM 14 C LIG 1 -6.543 0.809 -1.312 0.00 0.00 +0.304 C ATOM 15 O LIG 1 -7.750 0.875 -1.539 0.00 0.00 -0.252 OA ATOM 16 N LIG 1 -5.997 1.232 -0.105 0.00 0.00 -0.287 N ATOM 17 C LIG 1 -6.866 1.914 0.839 0.00 0.00 +0.133 C ATOM 18 C LIG 1 -4.564 1.408 0.090 0.00 0.00 +0.133 C ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.933 -0.834 1.613 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.520 -2.050 2.004 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.924 -2.255 3.325 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.752 -1.245 4.269 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.249 -1.500 5.895 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.182 -0.029 3.901 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.779 0.177 2.580 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 27 ATOM 26 C LIG 1 4.228 -0.050 -1.036 0.00 0.00 +0.228 A ATOM 27 C LIG 1 3.392 0.659 -0.195 0.00 0.00 +0.078 A ATOM 28 C LIG 1 4.058 1.432 0.727 0.00 0.00 +0.129 A ATOM 29 N LIG 1 5.402 1.490 0.835 0.00 0.00 -0.222 NA ATOM 30 C LIG 1 6.135 0.756 -0.019 0.00 0.00 +0.220 A ATOM 31 N LIG 1 5.574 -0.022 -0.960 0.00 0.00 -0.179 NA BRANCH 30 32 ATOM 32 N LIG 1 7.526 0.777 0.095 0.00 0.00 -0.306 N ATOM 33 C LIG 1 8.053 1.929 0.810 0.00 0.00 +0.132 C ATOM 34 C LIG 1 8.236 0.373 -1.108 0.00 0.00 +0.132 C ENDBRANCH 30 32 BRANCH 26 36 ATOM 35 C LIG 1 4.567 -1.497 -2.854 0.00 0.00 +0.279 C ATOM 36 O LIG 1 3.632 -0.855 -1.994 0.00 0.00 -0.479 OA ENDBRANCH 26 36 ENDBRANCH 1 27 BRANCH 2 37 ATOM 37 C LIG 1 1.620 -1.683 0.738 0.00 0.00 +0.081 C ATOM 38 C LIG 1 0.958 -2.924 0.138 0.00 0.00 +0.030 C ATOM 39 C LIG 1 1.566 -1.689 2.264 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 6