REMARK Name = BDB024637 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.888 0.995 0.490 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.711 1.431 -0.148 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.834 2.734 -0.827 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.916 3.880 0.196 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.735 2.986 -1.856 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.374 2.833 -1.211 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.267 1.476 -0.579 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.000 0.856 -0.470 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.227 1.344 -0.842 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.102 0.395 -0.572 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.479 -0.696 0.009 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.877 -0.423 0.050 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.992 -1.150 0.461 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.244 -0.522 0.370 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.413 0.793 -0.093 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.996 1.473 0.252 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.118 -1.933 0.463 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.815 -3.106 -0.481 0.00 0.00 +0.031 C ATOM 19 C LIG 1 -1.549 -4.384 -0.035 0.00 0.00 +0.016 C ATOM 20 C LIG 1 -1.358 -4.691 1.462 0.00 0.00 +0.006 C ATOM 21 C LIG 1 -0.437 -3.709 2.180 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -0.852 -2.259 1.948 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.140 -5.585 -0.897 0.00 0.00 +0.159 C BRANCH 23 24 ATOM 24 O LIG 1 -1.437 -5.342 -2.265 0.00 0.00 -0.395 OA ATOM 25 H LIG 1 -2.403 -5.278 -2.350 0.00 0.00 +0.209 HD ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 27 ATOM 26 C LIG 1 6.897 -0.330 2.147 0.00 0.00 +0.282 C ATOM 27 O LIG 1 5.707 0.054 1.458 0.00 0.00 -0.453 OA ENDBRANCH 1 27 BRANCH 10 28 ATOM 28 C LIG 1 -2.561 0.533 -0.888 0.00 0.00 +0.093 C BRANCH 28 29 ATOM 29 C LIG 1 -3.198 1.679 -0.081 0.00 0.00 +0.135 C BRANCH 29 30 ATOM 30 C LIG 1 -4.501 2.131 -0.725 0.00 0.00 -0.033 A ATOM 31 C LIG 1 -5.678 1.373 -0.610 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -6.859 1.807 -1.214 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.877 2.993 -1.944 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.714 3.747 -2.076 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.530 3.318 -1.473 0.00 0.00 +0.004 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -3.396 1.283 1.378 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -3.239 0.157 1.829 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -3.798 2.312 2.164 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -3.946 3.141 1.666 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 28 29 ENDBRANCH 10 28 TORSDOF 9