REMARK Name = BDB061410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.972 -0.045 -0.121 0.00 0.00 -0.039 C ATOM 2 C LIG 1 -2.873 -0.321 -1.003 0.00 0.00 +0.051 C ATOM 3 C LIG 1 -2.385 0.305 1.325 0.00 0.00 +0.027 C ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -3.904 -0.622 -1.955 0.00 0.00 +0.264 C ATOM 5 N LIG 1 -3.441 -0.997 -3.152 0.00 0.00 -0.202 NA ATOM 6 O LIG 1 -5.070 -0.507 -1.578 0.00 0.00 -0.268 OA BRANCH 5 7 ATOM 7 C LIG 1 -4.564 -1.301 -4.039 0.00 0.00 +0.113 C BRANCH 7 8 ATOM 8 C LIG 1 -6.026 -1.451 -4.422 0.00 0.00 +0.001 C BRANCH 8 9 ATOM 9 C LIG 1 -7.489 -1.351 -4.014 0.00 0.00 -0.071 C BRANCH 9 10 ATOM 10 N LIG 1 -8.719 -1.133 -3.252 0.00 0.00 +0.387 N ATOM 11 C LIG 1 -9.524 -0.068 -3.875 0.00 0.00 -0.096 C ATOM 12 C LIG 1 -9.514 -2.372 -3.200 0.00 0.00 -0.096 C BRANCH 10 13 ATOM 13 C LIG 1 -8.323 -0.732 -1.885 0.00 0.00 -0.073 C BRANCH 13 14 ATOM 14 C LIG 1 -7.814 -0.322 -0.487 0.00 0.00 -0.021 C BRANCH 14 15 ATOM 15 C LIG 1 -7.115 0.067 0.828 0.00 0.00 +0.015 C BRANCH 15 16 ATOM 16 C LIG 1 -6.297 0.441 2.081 0.00 0.00 +0.072 C BRANCH 16 17 ATOM 17 N LIG 1 -5.495 0.789 3.257 0.00 0.00 -0.270 NA ATOM 18 C LIG 1 -5.916 -0.118 4.329 0.00 0.00 +0.090 C ATOM 19 C LIG 1 -5.923 2.130 3.668 0.00 0.00 +0.090 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 5 7 ENDBRANCH 2 4 BRANCH 1 20 ATOM 20 C LIG 1 -0.606 -0.021 -0.482 0.00 0.00 +0.027 C BRANCH 20 21 ATOM 21 C LIG 1 0.887 0.007 -0.865 0.00 0.00 +0.030 C BRANCH 21 23 ATOM 22 C LIG 1 3.644 0.066 -1.530 0.00 0.00 -0.048 C ATOM 23 C LIG 1 2.383 0.039 -1.232 0.00 0.00 -0.034 C ATOM 24 C LIG 1 4.100 0.386 -2.961 0.00 0.00 +0.026 C BRANCH 22 25 ATOM 25 C LIG 1 4.610 -0.117 -0.515 0.00 0.00 +0.026 C BRANCH 25 26 ATOM 26 C LIG 1 5.678 -0.311 0.580 0.00 0.00 +0.030 C BRANCH 26 28 ATOM 27 C LIG 1 7.673 -0.663 2.569 0.00 0.00 -0.048 C ATOM 28 C LIG 1 6.759 -0.502 1.664 0.00 0.00 -0.034 C ATOM 29 C LIG 1 7.453 -1.649 3.723 0.00 0.00 +0.026 C BRANCH 27 30 ATOM 30 C LIG 1 8.880 0.067 2.489 0.00 0.00 +0.026 C BRANCH 30 31 ATOM 31 C LIG 1 10.200 0.860 2.414 0.00 0.00 +0.030 C BRANCH 31 34 ATOM 32 C LIG 1 13.818 1.777 1.493 0.00 0.00 +0.026 C ATOM 33 C LIG 1 12.630 2.323 2.295 0.00 0.00 -0.048 C ATOM 34 C LIG 1 11.521 1.654 2.348 0.00 0.00 -0.034 C ATOM 35 C LIG 1 12.733 3.689 2.987 0.00 0.00 +0.026 C ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 19