REMARK Name = BDB024218 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.767 -1.397 0.163 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.950 -2.729 0.874 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -3.218 -3.889 0.130 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.394 -5.118 0.767 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.307 -5.204 2.155 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.046 -4.061 2.908 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.871 -2.831 2.273 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.394 -0.759 0.545 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.373 -1.141 -0.300 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.564 -1.795 -1.047 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.274 -0.015 1.519 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 0.969 -0.773 -0.259 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.709 -1.355 -1.226 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 3.033 -1.060 -1.274 0.00 0.00 +0.139 A ATOM 15 C LIG 1 3.671 -0.198 -0.391 0.00 0.00 +0.066 A ATOM 16 C LIG 1 2.884 0.392 0.598 0.00 0.00 +0.031 A ATOM 17 C LIG 1 1.518 0.103 0.664 0.00 0.00 +0.046 A BRANCH 15 18 ATOM 18 N LIG 1 5.062 0.068 -0.494 0.00 0.00 -0.304 N ATOM 19 C LIG 1 5.817 0.890 0.316 0.00 0.00 +0.116 A ATOM 20 C LIG 1 7.113 0.839 -0.159 0.00 0.00 +0.065 A ATOM 21 N LIG 1 7.170 0.003 -1.247 0.00 0.00 -0.240 NA ATOM 22 C LIG 1 5.945 -0.439 -1.421 0.00 0.00 +0.204 A BRANCH 20 23 ATOM 23 C LIG 1 8.365 1.536 0.330 0.00 0.00 +0.006 C ATOM 24 C LIG 1 8.103 2.370 1.599 0.00 0.00 +0.017 C ATOM 25 C LIG 1 8.895 2.480 -0.767 0.00 0.00 +0.017 C ATOM 26 C LIG 1 9.450 0.491 0.659 0.00 0.00 +0.017 C ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 27 ATOM 27 N LIG 1 -3.832 -0.414 0.453 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.785 -0.175 1.444 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -5.174 -0.868 0.083 0.00 0.00 +0.089 C BRANCH 29 31 ATOM 30 C LIG 1 -6.325 0.915 1.537 0.00 0.00 +0.014 C ATOM 31 C LIG 1 -6.262 0.236 0.164 0.00 0.00 +0.030 C BRANCH 31 32 ATOM 32 C LIG 1 -6.164 1.247 -0.971 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -7.144 1.263 -1.976 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -7.073 2.178 -3.030 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -6.018 3.091 -3.097 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -5.036 3.085 -2.104 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -5.110 2.170 -1.050 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -5.941 4.026 -4.181 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -5.881 4.779 -5.062 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10