REMARK Name = BDB061733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.855 -0.669 0.495 0.00 0.00 +0.107 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 0.583 -0.474 0.705 0.00 0.00 -0.328 N ATOM 3 H LIG 1 0.996 -1.285 1.159 0.00 0.00 +0.147 HD BRANCH 2 8 ATOM 4 C LIG 1 5.516 0.451 -0.246 0.00 0.00 +0.123 A ATOM 5 C LIG 1 4.810 0.485 -1.450 0.00 0.00 +0.074 A ATOM 6 C LIG 1 3.435 0.277 -1.502 0.00 0.00 +0.079 A ATOM 7 C LIG 1 2.738 0.019 -0.313 0.00 0.00 +0.040 A ATOM 8 C LIG 1 1.351 -0.191 -0.448 0.00 0.00 +0.130 A ATOM 9 N LIG 1 0.734 -0.114 -1.639 0.00 0.00 -0.220 NA ATOM 10 C LIG 1 1.506 0.146 -2.700 0.00 0.00 +0.223 A ATOM 11 C LIG 1 3.449 -0.003 0.910 0.00 0.00 +0.017 A ATOM 12 N LIG 1 2.829 0.336 -2.692 0.00 0.00 -0.235 NA ATOM 13 C LIG 1 4.825 0.209 0.937 0.00 0.00 +0.046 A BRANCH 4 14 ATOM 14 O LIG 1 6.861 0.642 -0.093 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 7.624 0.890 -1.274 0.00 0.00 +0.230 C BRANCH 15 16 ATOM 16 C LIG 1 9.091 1.070 -0.886 0.00 0.00 +0.056 C BRANCH 16 17 ATOM 17 C LIG 1 9.669 -0.200 -0.246 0.00 0.00 +0.087 C BRANCH 17 19 ATOM 18 C LIG 1 11.485 0.858 0.989 0.00 0.00 +0.104 C ATOM 19 N LIG 1 11.127 -0.122 -0.040 0.00 0.00 -0.308 NA ATOM 20 C LIG 1 11.647 -1.440 0.337 0.00 0.00 +0.104 C ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 4 14 ENDBRANCH 2 8 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 -1.594 0.669 0.381 0.00 0.00 +0.054 C BRANCH 21 22 ATOM 22 C LIG 1 -3.080 0.470 0.208 0.00 0.00 -0.046 A ATOM 23 C LIG 1 -3.625 0.275 -1.065 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -4.999 0.070 -1.223 0.00 0.00 +0.023 A ATOM 25 C LIG 1 -5.854 0.056 -0.114 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -5.307 0.239 1.157 0.00 0.00 +0.023 A ATOM 27 C LIG 1 -3.932 0.445 1.317 0.00 0.00 +0.005 A BRANCH 25 28 ATOM 28 N LIG 1 -7.225 -0.168 -0.360 0.00 0.00 -0.269 N ATOM 29 H LIG 1 -7.487 -0.255 -1.329 0.00 0.00 +0.156 HD ATOM 30 C LIG 1 -8.273 -0.089 0.548 0.00 0.00 +0.308 C ATOM 31 N LIG 1 -9.455 -0.494 -0.058 0.00 0.00 -0.269 N ATOM 32 H LIG 1 -9.355 -1.001 -0.922 0.00 0.00 +0.156 HD ATOM 33 O LIG 1 -8.170 0.281 1.710 0.00 0.00 -0.252 OA BRANCH 31 34 ATOM 34 C LIG 1 -10.756 -0.458 0.486 0.00 0.00 +0.035 A ATOM 35 C LIG 1 -11.083 0.174 1.687 0.00 0.00 +0.023 A ATOM 36 C LIG 1 -12.403 0.174 2.152 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -13.406 -0.454 1.418 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -13.093 -1.080 0.215 0.00 0.00 +0.002 A ATOM 39 C LIG 1 -11.774 -1.080 -0.249 0.00 0.00 +0.023 A ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 11