REMARK Name = BDB063535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.500 -0.244 0.042 0.00 0.00 +0.000 C ENDROOT BRANCH 1 2 ATOM 2 B LIG 1 -2.584 -0.697 1.137 0.00 0.00 +0.000 B ATOM 3 O LIG 1 -2.480 -2.039 1.681 0.00 0.00 +0.000 OA ATOM 4 C LIG 1 -3.633 -2.663 1.173 0.00 0.00 +0.000 C ATOM 5 C LIG 1 -3.189 -3.640 0.054 0.00 0.00 +0.000 C ATOM 6 C LIG 1 -4.208 -3.525 2.320 0.00 0.00 +0.000 C ATOM 7 C LIG 1 -4.614 -1.491 0.679 0.00 0.00 +0.000 C ATOM 8 C LIG 1 -5.965 -1.441 1.430 0.00 0.00 +0.000 C ATOM 9 C LIG 1 -4.944 -1.528 -0.835 0.00 0.00 +0.000 C ATOM 10 O LIG 1 -3.961 -0.276 0.948 0.00 0.00 +0.000 OA ENDBRANCH 1 2 BRANCH 1 16 ATOM 11 C LIG 1 -2.013 5.477 -0.982 0.00 0.00 +0.000 C ATOM 12 C LIG 1 -1.875 4.008 -0.711 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -2.341 3.081 -1.653 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -2.220 1.708 -1.417 0.00 0.00 +0.000 A ATOM 15 F LIG 1 -2.691 0.839 -2.348 0.00 0.00 +0.000 F ATOM 16 C LIG 1 -1.620 1.241 -0.232 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -1.163 2.177 0.715 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -1.286 3.548 0.475 0.00 0.00 +0.000 A ENDBRANCH 1 16 BRANCH 1 19 ATOM 19 N LIG 1 -0.143 -0.573 0.489 0.00 0.00 +0.000 N ATOM 20 H LIG 1 0.055 -0.625 1.514 0.00 0.00 +0.000 HD ATOM 21 C LIG 1 0.952 -0.670 -0.436 0.00 0.00 +0.000 C ATOM 22 O LIG 1 0.747 -0.516 -1.671 0.00 0.00 +0.000 OA BRANCH 21 23 ATOM 23 C LIG 1 2.323 -0.943 0.033 0.00 0.00 +0.000 A ATOM 24 C LIG 1 3.459 -1.017 -0.746 0.00 0.00 +0.000 A ATOM 25 N LIG 1 4.502 -1.278 0.063 0.00 0.00 +0.000 N ATOM 26 N LIG 1 4.093 -1.362 1.320 0.00 0.00 +0.000 NA ATOM 27 C LIG 1 2.760 -1.167 1.329 0.00 0.00 +0.000 A BRANCH 25 28 ATOM 28 C LIG 1 5.898 -1.378 -0.348 0.00 0.00 +0.000 C BRANCH 28 29 ATOM 29 C LIG 1 6.480 -0.004 -0.541 0.00 0.00 +0.000 A ATOM 30 C LIG 1 6.832 0.450 -1.823 0.00 0.00 +0.000 A ATOM 31 C LIG 1 7.362 1.733 -1.994 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.544 2.570 -0.890 0.00 0.00 +0.000 A ATOM 33 C LIG 1 7.195 2.125 0.388 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.665 0.844 0.564 0.00 0.00 +0.000 A ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 23 ENDBRANCH 1 19 TORSDOF 6