REMARK Name = BDB024978 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.164 -1.028 0.340 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.309 -0.186 -0.392 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.851 1.026 -1.055 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.744 0.655 -2.253 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.793 2.017 -1.567 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.638 2.116 -0.598 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.034 0.748 -0.481 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.638 0.556 -0.430 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.360 1.486 -0.487 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.509 0.838 -0.361 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -1.273 -0.530 -0.302 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.105 -0.715 -0.295 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.920 -1.846 -0.185 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.308 -1.648 -0.223 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.882 -0.377 -0.366 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.839 -2.031 0.967 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.212 -1.652 -0.208 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.605 -1.960 1.248 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -3.461 -3.231 1.376 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.451 -3.434 0.222 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -4.691 -2.164 -0.584 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -3.394 -1.641 -1.197 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.578 -4.453 1.499 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.479 -4.612 0.996 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.150 -5.431 2.226 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.488 -6.154 2.223 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.368 -1.392 1.083 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.460 -0.587 0.330 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.855 1.531 -0.355 0.00 0.00 +0.210 C BRANCH 29 30 ATOM 30 C LIG 1 -2.824 3.016 -0.011 0.00 0.00 -0.012 A ATOM 31 C LIG 1 -2.143 3.494 1.122 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -2.169 4.850 1.452 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.884 5.746 0.660 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.572 5.288 -0.461 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.546 3.932 -0.794 0.00 0.00 +0.006 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 O LIG 1 -3.712 0.875 0.577 0.00 0.00 -0.379 OA ATOM 37 H LIG 1 -4.029 1.552 1.199 0.00 0.00 +0.211 HD ENDBRANCH 29 36 ENDBRANCH 10 29 TORSDOF 7