REMARK Name = BDB039051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.344 2.182 -1.997 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.756 1.084 -1.394 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.356 1.206 -1.007 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.692 -0.092 -0.624 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.408 -1.310 -0.574 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.761 -2.505 -0.233 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.403 -2.533 0.098 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.705 -1.321 0.070 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.606 -0.965 0.334 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.727 0.397 0.111 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.433 0.913 -0.241 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.868 -1.333 -0.953 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.324 -0.126 -0.283 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.527 0.029 -0.749 0.00 0.00 +0.116 C ATOM 15 O LIG 1 4.728 3.179 -2.356 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.995 1.201 0.267 0.00 0.00 +0.058 C ATOM 17 C LIG 1 -1.993 2.433 -0.662 0.00 0.00 +0.030 C ATOM 18 C LIG 1 -1.456 3.677 0.037 0.00 0.00 +0.112 C ATOM 19 N LIG 1 -2.236 3.994 1.234 0.00 0.00 -0.268 N ATOM 20 C LIG 1 -2.279 5.252 1.778 0.00 0.00 +0.400 C ATOM 21 O LIG 1 -2.905 5.603 2.766 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 -2.938 2.906 1.898 0.00 0.00 +0.112 C ATOM 23 C LIG 1 -2.193 1.587 1.746 0.00 0.00 +0.030 C BRANCH 20 24 ATOM 24 O LIG 1 -1.532 6.152 1.114 0.00 0.00 -0.466 OA ATOM 25 H LIG 1 -1.669 6.969 1.634 0.00 0.00 +0.297 HD ENDBRANCH 20 24 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 7.328 3.149 -2.779 0.00 0.00 +0.282 C ATOM 27 O LIG 1 6.689 2.037 -2.153 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.678 -1.866 0.769 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -1.370 -2.503 2.129 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.032 -2.889 -0.328 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -3.376 -3.545 -0.113 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -4.556 -2.871 -0.459 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.799 -3.467 -0.244 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.875 -4.740 0.317 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.708 -5.419 0.663 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.463 -4.825 0.449 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 6