REMARK Name = BDB018844 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.681 1.142 1.530 0.00 0.00 +0.140 C ATOM 2 N LIG 1 -0.822 0.265 0.365 0.00 0.00 -0.252 N ATOM 3 C LIG 1 -2.071 0.081 -0.258 0.00 0.00 +0.242 C ATOM 4 O LIG 1 -2.251 -0.483 -1.341 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.363 -0.226 -0.208 0.00 0.00 +0.167 A ATOM 6 S LIG 1 0.394 -1.415 -1.439 0.00 0.00 -0.060 S ATOM 7 C LIG 1 2.104 -1.393 -1.440 0.00 0.00 +0.076 A ATOM 8 C LIG 1 2.562 -0.514 -0.481 0.00 0.00 +0.080 A ATOM 9 N LIG 1 1.556 0.140 0.217 0.00 0.00 -0.224 NA BRANCH 8 10 ATOM 10 C LIG 1 3.971 -0.247 -0.198 0.00 0.00 +0.001 A ATOM 11 C LIG 1 4.324 0.925 0.489 0.00 0.00 +0.010 A ATOM 12 C LIG 1 5.660 1.213 0.778 0.00 0.00 +0.001 A ATOM 13 C LIG 1 6.663 0.330 0.386 0.00 0.00 +0.000 A ATOM 14 C LIG 1 6.330 -0.841 -0.290 0.00 0.00 +0.001 A ATOM 15 C LIG 1 4.992 -1.130 -0.580 0.00 0.00 +0.010 A ENDBRANCH 8 10 ENDBRANCH 2 5 BRANCH 3 16 ATOM 16 C LIG 1 -3.308 0.606 0.511 0.00 0.00 +0.170 C ATOM 17 N LIG 1 -4.510 0.800 -0.360 0.00 0.00 -0.258 N ATOM 18 C LIG 1 -5.430 -0.353 -0.186 0.00 0.00 +0.117 C ATOM 19 C LIG 1 -4.702 -1.319 0.737 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -3.777 -0.422 1.542 0.00 0.00 +0.034 C BRANCH 17 21 ATOM 21 C LIG 1 -4.568 1.668 -1.377 0.00 0.00 +0.170 C ATOM 22 N LIG 1 -4.623 2.446 -2.232 0.00 0.00 -0.174 NA ENDBRANCH 17 21 ENDBRANCH 3 16 TORSDOF 4