REMARK Name = BDB018208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.605 2.927 1.323 0.00 0.00 +0.152 C ATOM 2 N LIG 1 -3.298 1.594 0.822 0.00 0.00 -0.317 N ATOM 3 C LIG 1 -4.173 0.547 1.103 0.00 0.00 +0.259 A ATOM 4 O LIG 1 -5.211 0.666 1.749 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -3.796 -0.783 0.568 0.00 0.00 +0.050 A ATOM 6 C LIG 1 -2.608 -0.925 -0.153 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.352 -2.198 -0.652 0.00 0.00 +0.120 A ATOM 8 N LIG 1 -3.151 -3.279 -0.464 0.00 0.00 -0.263 NA ATOM 9 C LIG 1 -4.279 -3.091 0.250 0.00 0.00 +0.111 A ATOM 10 C LIG 1 -1.703 0.229 -0.374 0.00 0.00 +0.011 A ATOM 11 C LIG 1 -4.646 -1.872 0.781 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -2.118 1.411 0.124 0.00 0.00 +0.098 A ENDROOT BRANCH 10 13 ATOM 13 C LIG 1 -0.444 0.160 -1.054 0.00 0.00 +0.022 A ATOM 14 C LIG 1 0.645 -0.593 -0.677 0.00 0.00 +0.117 A ATOM 15 N LIG 1 1.625 -0.322 -1.595 0.00 0.00 -0.267 N ATOM 16 N LIG 1 1.228 0.539 -2.558 0.00 0.00 -0.179 NA ATOM 17 C LIG 1 -0.028 0.841 -2.216 0.00 0.00 +0.143 A BRANCH 15 18 ATOM 18 C LIG 1 2.964 -0.896 -1.633 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 C LIG 1 3.851 -0.317 -0.560 0.00 0.00 -0.026 A ATOM 20 C LIG 1 4.268 -1.101 0.525 0.00 0.00 +0.005 A ATOM 21 C LIG 1 5.088 -0.559 1.516 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.500 0.770 1.433 0.00 0.00 +0.000 A ATOM 23 C LIG 1 5.092 1.559 0.360 0.00 0.00 +0.000 A ATOM 24 C LIG 1 4.273 1.020 -0.632 0.00 0.00 +0.005 A ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 10 13 TORSDOF 3