REMARK Name = BDB018304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.164 -1.565 -0.079 0.00 0.00 +0.024 A ATOM 2 C LIG 1 0.469 -0.870 0.926 0.00 0.00 +0.117 A ATOM 3 N LIG 1 1.716 -1.419 1.043 0.00 0.00 -0.267 N ATOM 4 N LIG 1 1.913 -2.474 0.222 0.00 0.00 -0.179 NA ATOM 5 C LIG 1 0.774 -2.544 -0.473 0.00 0.00 +0.143 A ENDROOT BRANCH 1 7 ATOM 6 C LIG 1 -1.973 0.002 -0.949 0.00 0.00 +0.135 A ATOM 7 C LIG 1 -1.491 -1.339 -0.577 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -2.346 -2.372 -0.715 0.00 0.00 +0.101 A ATOM 9 N LIG 1 -3.644 -2.217 -1.170 0.00 0.00 -0.317 N ATOM 10 C LIG 1 -4.493 -3.395 -1.263 0.00 0.00 +0.152 C ATOM 11 C LIG 1 -4.165 -0.976 -1.504 0.00 0.00 +0.255 A ATOM 12 O LIG 1 -5.313 -0.771 -1.888 0.00 0.00 -0.268 OA ATOM 13 C LIG 1 -3.234 0.172 -1.380 0.00 0.00 +0.116 A BRANCH 6 14 ATOM 14 O LIG 1 -1.024 0.995 -0.831 0.00 0.00 -0.491 OA BRANCH 14 16 ATOM 15 C LIG 1 -1.979 3.061 0.005 0.00 0.00 +0.048 C ATOM 16 C LIG 1 -1.335 2.345 -1.168 0.00 0.00 +0.226 C ENDBRANCH 14 16 ENDBRANCH 6 14 ENDBRANCH 1 7 BRANCH 3 17 ATOM 17 C LIG 1 2.764 -1.001 1.964 0.00 0.00 +0.178 C BRANCH 17 18 ATOM 18 C LIG 1 3.434 0.269 1.499 0.00 0.00 -0.025 A ATOM 19 C LIG 1 3.169 1.493 2.132 0.00 0.00 +0.020 A ATOM 20 C LIG 1 3.783 2.662 1.680 0.00 0.00 +0.018 A ATOM 21 BR LIG 1 3.410 4.305 2.537 0.00 0.00 -0.050 Br ATOM 22 C LIG 1 4.664 2.630 0.601 0.00 0.00 +0.015 A ATOM 23 C LIG 1 4.931 1.418 -0.035 0.00 0.00 +0.001 A ATOM 24 C LIG 1 4.319 0.245 0.409 0.00 0.00 +0.005 A ENDBRANCH 17 18 ENDBRANCH 3 17 TORSDOF 5