REMARK Name = BDB060616 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.965 0.950 0.145 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.272 -0.334 -0.317 0.00 0.00 +0.025 A ATOM 3 C LIG 1 2.595 -0.789 -0.337 0.00 0.00 +0.025 A ATOM 4 C LIG 1 3.639 0.032 0.101 0.00 0.00 +0.034 A ATOM 5 C LIG 1 3.333 1.310 0.563 0.00 0.00 +0.025 A ATOM 6 C LIG 1 2.005 1.765 0.587 0.00 0.00 +0.025 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -0.932 2.543 0.527 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -0.394 1.329 0.138 0.00 0.00 -0.282 N ATOM 9 H LIG 1 -1.032 0.636 -0.233 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -0.311 3.530 0.903 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 -4.645 1.663 0.488 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -3.258 1.529 0.590 0.00 0.00 +0.036 A ATOM 13 C LIG 1 -2.421 2.645 0.437 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -2.986 3.908 0.220 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -4.369 4.051 0.134 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -5.193 2.932 0.265 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 -5.239 -0.750 0.756 0.00 0.00 +0.241 C ATOM 18 N LIG 1 -5.545 0.583 0.601 0.00 0.00 -0.282 N ATOM 19 H LIG 1 -6.530 0.820 0.579 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -4.130 -1.258 0.861 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 -7.493 -1.511 0.025 0.00 0.00 -0.007 C ATOM 22 C LIG 1 -6.437 -1.624 0.848 0.00 0.00 +0.064 C BRANCH 21 23 ATOM 23 C LIG 1 -8.699 -2.403 0.094 0.00 0.00 +0.111 C BRANCH 23 25 ATOM 24 C LIG 1 -10.960 -2.525 0.904 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -9.913 -1.632 0.396 0.00 0.00 -0.305 NA ATOM 26 C LIG 1 -10.416 -0.920 -0.783 0.00 0.00 +0.104 C ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 4 27 ATOM 27 N LIG 1 4.943 -0.503 0.058 0.00 0.00 -0.280 N ATOM 28 H LIG 1 5.018 -1.447 -0.300 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 6.130 0.149 0.360 0.00 0.00 +0.267 C ATOM 30 O LIG 1 6.268 1.329 0.658 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 7.343 -0.724 0.285 0.00 0.00 +0.126 A ATOM 32 N LIG 1 8.386 -0.233 -0.429 0.00 0.00 -0.241 NA ATOM 33 C LIG 1 9.493 -1.004 -0.508 0.00 0.00 +0.089 A ATOM 34 C LIG 1 9.593 -2.253 0.093 0.00 0.00 +0.030 A ATOM 35 C LIG 1 8.507 -2.735 0.822 0.00 0.00 +0.004 A ATOM 36 C LIG 1 7.357 -1.959 0.925 0.00 0.00 +0.033 A BRANCH 33 37 ATOM 37 C LIG 1 10.571 -0.410 -1.279 0.00 0.00 +0.084 A ATOM 38 N LIG 1 10.473 0.860 -1.791 0.00 0.00 -0.275 N ATOM 39 H LIG 1 9.682 1.490 -1.689 0.00 0.00 +0.189 HD ATOM 40 N LIG 1 11.555 1.258 -2.485 0.00 0.00 -0.182 NA ATOM 41 C LIG 1 12.377 0.211 -2.405 0.00 0.00 +0.135 A ATOM 42 C LIG 1 11.821 -0.852 -1.668 0.00 0.00 +0.050 A ENDBRANCH 33 37 ENDBRANCH 29 31 ENDBRANCH 4 27 TORSDOF 9