REMARK Name = BDB024667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.697 -0.066 0.839 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.748 0.573 0.022 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.130 1.891 -0.527 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.210 1.756 -1.613 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.970 2.709 -1.115 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.715 2.530 -0.287 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.369 1.069 -0.310 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.040 0.617 -0.456 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.101 1.355 -0.620 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.092 0.490 -0.710 0.00 0.00 +0.116 A ATOM 11 N LIG 1 -0.625 -0.822 -0.630 0.00 0.00 -0.296 N ATOM 12 C LIG 1 0.753 -0.742 -0.454 0.00 0.00 +0.074 A ATOM 13 C LIG 1 1.768 -1.704 -0.361 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.083 -1.247 -0.205 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.399 0.116 -0.151 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.850 0.337 0.982 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.393 -2.017 -0.664 0.00 0.00 +0.048 A ATOM 18 C LIG 1 -1.145 -3.026 0.277 0.00 0.00 +0.026 A ATOM 19 C LIG 1 -1.915 -4.191 0.269 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -2.924 -4.356 -0.678 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -3.164 -3.359 -1.622 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -2.400 -2.190 -1.619 0.00 0.00 +0.026 A ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 6.164 -1.753 2.408 0.00 0.00 +0.282 C ATOM 24 O LIG 1 5.219 -1.141 1.529 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -2.533 0.915 -0.735 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -3.236 0.685 0.613 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 -4.751 0.777 0.493 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -5.386 1.927 -0.001 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -6.776 1.982 -0.109 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -7.551 0.890 0.274 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.936 -0.258 0.767 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.546 -0.316 0.877 0.00 0.00 +0.004 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -2.688 1.597 1.693 0.00 0.00 +0.313 C ATOM 34 O LIG 1 -2.287 1.233 2.790 0.00 0.00 -0.250 OA BRANCH 33 35 ATOM 35 O LIG 1 -2.693 2.908 1.381 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -2.288 3.336 2.164 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 26 33 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7