REMARK Name = BDB058591 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.770 0.250 0.562 0.00 0.00 +0.089 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 0.335 0.348 0.261 0.00 0.00 -0.302 NA ATOM 3 C LIG 1 -0.291 -0.949 -0.019 0.00 0.00 +0.085 C ATOM 4 C LIG 1 -1.613 -0.838 -0.792 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -2.370 0.438 -0.401 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -1.504 1.687 -0.663 0.00 0.00 +0.023 C ATOM 7 C LIG 1 -0.004 1.373 -0.720 0.00 0.00 +0.085 C BRANCH 5 8 ATOM 8 C LIG 1 -3.732 0.543 -1.063 0.00 0.00 -0.044 A ATOM 9 C LIG 1 -4.880 0.714 -0.272 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -6.157 0.814 -0.847 0.00 0.00 -0.033 A ATOM 11 C LIG 1 -6.274 0.754 -2.242 0.00 0.00 +0.005 A ATOM 12 C LIG 1 -5.143 0.590 -3.041 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -3.881 0.486 -2.455 0.00 0.00 +0.004 A BRANCH 10 14 ATOM 14 C LIG 1 -7.383 0.998 0.023 0.00 0.00 +0.119 C BRANCH 14 15 ATOM 15 N LIG 1 -8.064 -0.208 0.487 0.00 0.00 -0.298 NA ATOM 16 C LIG 1 -8.626 -1.063 -0.550 0.00 0.00 +0.085 C ATOM 17 C LIG 1 -9.081 -2.281 0.243 0.00 0.00 +0.017 C ATOM 18 C LIG 1 -8.200 -2.299 1.490 0.00 0.00 +0.017 C ATOM 19 C LIG 1 -7.288 -1.087 1.351 0.00 0.00 +0.085 C ENDBRANCH 14 15 ENDBRANCH 10 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 2.709 -0.014 -0.630 0.00 0.00 +0.053 C BRANCH 20 24 ATOM 21 N LIG 1 6.272 0.244 0.316 0.00 0.00 -0.220 N ATOM 22 N LIG 1 6.082 -1.084 0.525 0.00 0.00 -0.173 NA ATOM 23 C LIG 1 4.807 -1.308 0.211 0.00 0.00 +0.138 A ATOM 24 C LIG 1 4.131 -0.147 -0.206 0.00 0.00 -0.008 A ATOM 25 C LIG 1 5.097 0.833 -0.130 0.00 0.00 +0.120 A BRANCH 21 30 ATOM 26 O LIG 1 12.077 1.136 1.767 0.00 0.00 -0.267 OA ATOM 27 C LIG 1 11.050 0.488 1.607 0.00 0.00 +0.259 A ATOM 28 C LIG 1 9.798 1.111 1.135 0.00 0.00 +0.070 A ATOM 29 C LIG 1 8.668 0.295 0.978 0.00 0.00 +0.122 A ATOM 30 C LIG 1 7.510 0.945 0.525 0.00 0.00 +0.180 A ATOM 31 N LIG 1 7.475 2.294 0.250 0.00 0.00 -0.234 NA ATOM 32 C LIG 1 8.596 3.019 0.423 0.00 0.00 +0.114 A ATOM 33 N LIG 1 8.743 -1.083 1.269 0.00 0.00 -0.233 NA ATOM 34 C LIG 1 9.855 -1.581 1.679 0.00 0.00 +0.200 A ATOM 35 C LIG 1 9.780 2.478 0.861 0.00 0.00 +0.035 A ATOM 36 N LIG 1 10.992 -0.855 1.856 0.00 0.00 -0.313 N ATOM 37 H LIG 1 11.841 -1.293 2.180 0.00 0.00 +0.170 HD ENDBRANCH 21 30 ENDBRANCH 20 24 ENDBRANCH 1 20 TORSDOF 7