REMARK Name = BDB018987 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.634 -0.633 -1.513 0.00 0.00 -0.300 N ATOM 2 C LIG 1 1.273 0.049 -0.451 0.00 0.00 +0.038 A ATOM 3 C LIG 1 2.609 0.475 -0.556 0.00 0.00 -0.025 A ATOM 4 C LIG 1 3.227 1.141 0.517 0.00 0.00 +0.014 A ATOM 5 C LIG 1 2.540 1.406 1.710 0.00 0.00 -0.006 A ATOM 6 C LIG 1 1.203 0.999 1.835 0.00 0.00 +0.027 A ATOM 7 C LIG 1 3.428 0.185 -1.787 0.00 0.00 +0.038 C ATOM 8 C LIG 1 2.552 -0.180 -2.974 0.00 0.00 +0.024 C ATOM 9 C LIG 1 0.601 0.313 0.756 0.00 0.00 +0.033 A ATOM 10 C LIG 1 1.513 -1.206 -2.545 0.00 0.00 +0.111 C ENDROOT BRANCH 1 21 ATOM 11 C LIG 1 -3.062 -0.005 -1.706 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -3.489 -1.298 -1.965 0.00 0.00 +0.112 A ATOM 13 N LIG 1 -4.778 -1.829 -2.158 0.00 0.00 -0.292 N ATOM 14 C LIG 1 -4.681 -3.216 -2.389 0.00 0.00 +0.330 A ATOM 15 N LIG 1 -3.307 -3.527 -2.337 0.00 0.00 -0.295 N ATOM 16 C LIG 1 -2.743 -4.833 -2.513 0.00 0.00 +0.154 C ATOM 17 O LIG 1 -5.599 -3.995 -2.594 0.00 0.00 -0.246 OA ATOM 18 C LIG 1 -6.003 -1.083 -2.123 0.00 0.00 +0.154 C ATOM 19 C LIG 1 -2.583 -2.356 -2.079 0.00 0.00 +0.075 A ATOM 20 C LIG 1 -1.221 -2.180 -1.941 0.00 0.00 +0.051 A ATOM 21 C LIG 1 -0.748 -0.887 -1.672 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -1.679 0.183 -1.562 0.00 0.00 +0.071 A BRANCH 11 24 ATOM 23 C LIG 1 -3.554 2.301 -1.381 0.00 0.00 +0.277 C ATOM 24 O LIG 1 -4.007 0.974 -1.613 0.00 0.00 -0.493 OA ENDBRANCH 11 24 ENDBRANCH 1 21 BRANCH 5 25 ATOM 25 C LIG 1 3.261 2.092 2.763 0.00 0.00 +0.020 A ATOM 26 C LIG 1 3.495 1.583 4.022 0.00 0.00 +0.116 A ATOM 27 N LIG 1 4.227 2.527 4.682 0.00 0.00 -0.274 N ATOM 28 C LIG 1 4.689 2.467 6.047 0.00 0.00 +0.172 C ATOM 29 N LIG 1 4.533 3.597 3.924 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 3.938 3.331 2.757 0.00 0.00 +0.142 A ENDBRANCH 5 25 BRANCH 6 31 ATOM 31 C LIG 1 0.382 1.244 3.076 0.00 0.00 +0.372 C ATOM 32 F LIG 1 0.706 0.409 4.103 0.00 0.00 -0.204 F ATOM 33 F LIG 1 0.483 2.512 3.563 0.00 0.00 -0.204 F ENDBRANCH 6 31 TORSDOF 4