REMARK Name = BDB025062 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.471 -3.111 -0.975 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.683 -2.806 0.149 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.858 -3.672 1.334 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.209 -3.420 2.023 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.755 -3.544 2.397 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.403 -3.347 1.747 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.476 -2.085 0.937 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.430 -1.139 0.925 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.238 -1.161 1.605 0.00 0.00 -0.230 NA ATOM 10 C LIG 1 -0.378 -0.033 1.308 0.00 0.00 +0.128 A ATOM 11 N LIG 1 0.356 0.692 0.383 0.00 0.00 -0.323 N ATOM 12 C LIG 1 1.541 0.018 0.163 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.677 0.297 -0.600 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.707 -0.653 -0.590 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.621 -1.842 0.147 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.393 -3.924 -0.957 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.040 1.963 -0.211 0.00 0.00 +0.090 C ATOM 18 C LIG 1 0.743 3.155 0.363 0.00 0.00 +0.039 C ATOM 19 C LIG 1 0.086 4.477 -0.084 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -0.147 4.499 -1.612 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.420 3.286 -2.350 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.069 1.966 -1.754 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.233 4.742 0.636 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.123 5.484 0.245 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.367 4.035 1.774 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.339 3.985 1.960 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 5.832 -2.855 -3.283 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.084 -2.486 -2.124 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -1.668 0.418 1.929 0.00 0.00 +0.182 C BRANCH 29 30 ATOM 30 N LIG 1 -2.774 0.396 0.968 0.00 0.00 -0.294 N ATOM 31 C LIG 1 -3.668 1.462 0.989 0.00 0.00 +0.216 C ATOM 32 O LIG 1 -3.491 2.476 1.669 0.00 0.00 -0.276 OA ATOM 33 C LIG 1 -4.828 1.410 0.014 0.00 0.00 +0.103 C ATOM 34 C LIG 1 -5.279 0.010 -0.403 0.00 0.00 -0.020 C ATOM 35 C LIG 1 -6.403 -0.010 -1.484 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -7.436 -0.085 -0.343 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -6.319 -0.659 0.552 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -4.066 -0.830 -0.767 0.00 0.00 +0.026 C ATOM 39 C LIG 1 -3.163 -0.918 0.451 0.00 0.00 +0.109 C ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6