REMARK Name = BDB005713 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.068 1.669 -0.581 0.00 0.00 +0.200 A ATOM 2 N LIG 1 -0.598 0.374 -0.681 0.00 0.00 -0.310 N ATOM 3 C LIG 1 -1.651 -0.485 -0.412 0.00 0.00 +0.096 A ATOM 4 C LIG 1 -2.704 0.378 -0.107 0.00 0.00 +0.095 A ATOM 5 C LIG 1 -3.951 -0.121 0.263 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -4.047 -1.497 0.300 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -3.042 -2.359 -0.004 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -1.829 -1.873 -0.379 0.00 0.00 +0.099 A ATOM 9 N LIG 1 -2.331 1.687 -0.236 0.00 0.00 -0.214 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.317 -2.135 0.685 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -5.397 -3.471 0.705 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -4.665 -4.123 0.477 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.644 -3.780 1.084 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -7.098 -4.904 1.218 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -7.333 -2.610 1.298 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -6.415 -1.543 1.022 0.00 0.00 -0.053 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -0.832 -2.871 -0.720 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -0.172 -3.615 0.267 0.00 0.00 +0.033 A ATOM 19 C LIG 1 0.778 -4.563 -0.100 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 1.619 -5.461 1.095 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 1.035 -4.755 -1.448 0.00 0.00 +0.130 A ATOM 22 N LIG 1 0.407 -4.073 -2.436 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -0.520 -3.164 -2.048 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 26 ATOM 24 C LIG 1 -0.900 3.720 1.428 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -0.167 3.858 0.102 0.00 0.00 +0.073 C ATOM 26 N LIG 1 -0.270 2.730 -0.866 0.00 0.00 -0.298 N ATOM 27 C LIG 1 -0.510 3.306 -2.210 0.00 0.00 +0.108 C ATOM 28 C LIG 1 -0.147 4.779 -2.082 0.00 0.00 +0.021 C ATOM 29 C LIG 1 -0.618 5.096 -0.677 0.00 0.00 +0.024 C ENDBRANCH 1 26 BRANCH 2 30 ATOM 30 C LIG 1 0.771 0.014 -1.015 0.00 0.00 +0.128 C BRANCH 30 31 ATOM 31 C LIG 1 1.625 -0.393 0.203 0.00 0.00 +0.009 C ATOM 32 C LIG 1 1.959 0.823 1.090 0.00 0.00 +0.005 C ATOM 33 C LIG 1 3.208 0.577 1.927 0.00 0.00 +0.003 C ATOM 34 C LIG 1 4.450 0.403 1.036 0.00 0.00 -0.014 C ATOM 35 C LIG 1 5.526 -0.389 1.781 0.00 0.00 +0.007 C ATOM 36 C LIG 1 4.116 -0.240 -0.322 0.00 0.00 +0.003 C ATOM 37 C LIG 1 2.895 -1.150 -0.241 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 5