REMARK Name = BDB025255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.327 -1.017 0.735 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.450 -0.040 0.231 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.947 1.330 -0.048 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.892 1.345 -1.263 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.852 2.377 -0.310 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.670 2.156 0.605 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.133 0.783 0.324 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.747 0.523 0.267 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.297 1.402 0.399 0.00 0.00 -0.223 NA ATOM 10 C LIG 1 -1.405 0.691 0.236 0.00 0.00 +0.198 A ATOM 11 N LIG 1 -1.101 -0.651 0.081 0.00 0.00 -0.317 N ATOM 12 C LIG 1 0.278 -0.765 0.043 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.152 -1.837 -0.159 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.527 -1.572 -0.098 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.035 -0.290 0.150 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.032 -2.166 1.048 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.058 -1.753 -0.007 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.120 -2.366 -1.418 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.649 -3.810 -1.429 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.646 -4.046 -0.291 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.015 -3.829 1.086 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.865 -2.819 1.081 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.273 -4.131 -2.770 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.419 -4.482 -2.987 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.391 -4.020 -3.783 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.911 -4.261 -4.579 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 -2.716 1.343 0.231 0.00 0.00 +0.284 C ATOM 28 N LIG 1 -2.598 2.693 0.508 0.00 0.00 -0.279 N ATOM 29 H LIG 1 -1.635 2.990 0.652 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 -3.767 0.757 -0.004 0.00 0.00 -0.267 OA BRANCH 28 31 ATOM 31 C LIG 1 -3.604 3.669 0.598 0.00 0.00 +0.034 A ATOM 32 C LIG 1 -3.197 4.979 0.885 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -4.134 6.010 0.993 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -5.488 5.740 0.813 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.902 4.441 0.527 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -4.964 3.409 0.420 0.00 0.00 +0.023 A ENDBRANCH 28 31 ENDBRANCH 10 27 BRANCH 1 38 ATOM 37 C LIG 1 7.525 -1.485 1.435 0.00 0.00 +0.282 C ATOM 38 O LIG 1 6.598 -0.539 0.899 0.00 0.00 -0.453 OA ENDBRANCH 1 38 TORSDOF 6