REMARK Name = BDB005370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.023 0.281 -1.194 0.00 0.00 +0.142 A ATOM 2 N LIG 1 0.270 0.389 -0.020 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.865 -0.321 -0.257 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -2.114 -0.701 0.428 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.771 -1.470 -0.674 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.945 -1.602 -1.825 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -2.124 -2.254 -2.841 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.771 -0.821 -1.514 0.00 0.00 +0.150 A ATOM 9 N LIG 1 0.382 -0.446 -2.110 0.00 0.00 -0.223 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.028 -2.116 -0.502 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.999 -2.200 -1.525 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.878 -1.528 -2.868 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -6.196 -2.907 -1.288 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.465 -3.477 -0.047 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.536 -3.346 0.973 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -5.859 -4.029 2.519 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.333 -2.673 0.753 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.944 0.481 0.895 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -3.376 1.478 0.001 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -4.136 2.560 0.451 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.474 2.655 1.798 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -5.408 3.988 2.354 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -4.059 1.677 2.699 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -3.298 0.595 2.250 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 27 ATOM 25 C LIG 1 4.743 0.935 -1.114 0.00 0.00 +0.002 A ATOM 26 C LIG 1 3.490 0.348 -0.885 0.00 0.00 +0.021 A ATOM 27 C LIG 1 2.325 0.894 -1.436 0.00 0.00 +0.018 A ATOM 28 C LIG 1 2.423 2.011 -2.273 0.00 0.00 +0.011 A ATOM 29 C LIG 1 3.663 2.600 -2.516 0.00 0.00 +0.001 A ATOM 30 C LIG 1 4.816 2.070 -1.933 0.00 0.00 +0.010 A BRANCH 25 36 ATOM 31 C LIG 1 7.556 -1.770 1.919 0.00 0.00 +0.086 C ATOM 32 C LIG 1 7.097 -0.845 0.858 0.00 0.00 +0.105 A ATOM 33 N LIG 1 7.969 -0.196 0.021 0.00 0.00 -0.348 N ATOM 34 H LIG 1 8.976 -0.282 0.038 0.00 0.00 +0.166 HD ATOM 35 C LIG 1 7.234 0.573 -0.839 0.00 0.00 +0.112 A ATOM 36 C LIG 1 5.920 0.355 -0.488 0.00 0.00 +0.089 A ATOM 37 N LIG 1 5.853 -0.526 0.569 0.00 0.00 -0.233 NA ENDBRANCH 25 36 ENDBRANCH 1 27 BRANCH 2 38 ATOM 38 C LIG 1 0.555 1.130 1.203 0.00 0.00 +0.083 C ATOM 39 C LIG 1 1.650 0.493 2.057 0.00 0.00 +0.030 C ATOM 40 C LIG 1 0.796 2.622 0.976 0.00 0.00 +0.030 C ENDBRANCH 2 38 TORSDOF 5