REMARK Name = BDB049764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.374 -0.321 -1.051 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.721 -0.398 -1.420 0.00 0.00 +0.049 A ATOM 3 C LIG 1 2.287 -1.596 -1.891 0.00 0.00 -0.038 A ATOM 4 C LIG 1 1.460 -2.720 -2.009 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.115 -2.650 -1.647 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.427 -1.455 -1.168 0.00 0.00 +0.045 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -0.022 0.912 -0.612 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 -1.348 1.058 -0.097 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 -2.329 1.402 -1.215 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 -4.179 4.165 -0.653 0.00 0.00 +0.088 C ATOM 11 C LIG 1 -4.435 2.725 -0.486 0.00 0.00 +0.126 A ATOM 12 C LIG 1 -3.711 1.573 -0.705 0.00 0.00 +0.086 A ATOM 13 N LIG 1 -4.474 0.479 -0.365 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 -5.623 0.993 0.037 0.00 0.00 +0.228 A ATOM 15 O LIG 1 -5.664 2.363 -0.013 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.822 0.312 0.518 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -6.840 -1.089 0.593 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -7.972 -1.769 1.050 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -9.103 -1.054 1.438 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -9.103 0.338 1.370 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.969 1.016 0.913 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 3.742 -1.663 -2.294 0.00 0.00 +0.095 C BRANCH 22 23 ATOM 23 C LIG 1 4.546 -1.515 -1.046 0.00 0.00 +0.102 A ATOM 24 C LIG 1 4.901 -2.469 -0.055 0.00 0.00 +0.193 A ATOM 25 N LIG 1 5.623 -1.848 0.897 0.00 0.00 -0.140 NA ATOM 26 N LIG 1 5.685 -0.570 0.456 0.00 0.00 -0.149 N ATOM 27 N LIG 1 5.080 -0.323 -0.732 0.00 0.00 -0.151 NA BRANCH 26 28 ATOM 28 C LIG 1 6.356 0.447 1.185 0.00 0.00 +0.086 A ATOM 29 C LIG 1 6.401 1.757 0.686 0.00 0.00 +0.029 A ATOM 30 C LIG 1 7.062 2.754 1.407 0.00 0.00 +0.002 A ATOM 31 C LIG 1 7.677 2.449 2.621 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.634 1.147 3.121 0.00 0.00 +0.002 A ATOM 33 C LIG 1 6.975 0.144 2.407 0.00 0.00 +0.029 A ENDBRANCH 26 28 BRANCH 24 34 ATOM 34 C LIG 1 4.606 -3.895 0.027 0.00 0.00 +0.359 C ATOM 35 O LIG 1 4.814 -4.626 0.987 0.00 0.00 -0.243 OA BRANCH 34 36 ATOM 36 O LIG 1 4.081 -4.443 -1.096 0.00 0.00 -0.476 OA ATOM 37 H LIG 1 3.979 -5.382 -0.832 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 10