REMARK Name = BDB006515 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.947 -0.497 2.904 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.123 -0.929 1.741 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.411 -0.697 0.360 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.624 -1.259 -0.391 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.647 -1.183 -1.794 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.408 -0.534 -2.442 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.466 0.018 -1.718 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.516 -1.822 0.507 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.468 -0.045 -0.316 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.067 -1.640 1.802 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.811 -2.135 2.996 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.561 0.692 -2.471 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.798 0.705 -1.864 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.958 0.084 -1.083 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 2.347 1.163 -3.582 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 4.973 1.236 -2.537 0.00 0.00 +0.100 C ATOM 17 C LIG 1 4.946 2.766 -2.605 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.226 0.722 -1.847 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.567 1.130 -0.544 0.00 0.00 +0.009 A ATOM 20 C LIG 1 7.714 0.637 0.100 0.00 0.00 -0.044 A ATOM 21 C LIG 1 8.522 -0.283 -0.581 0.00 0.00 +0.004 A ATOM 22 C LIG 1 8.191 -0.704 -1.869 0.00 0.00 +0.001 A ATOM 23 C LIG 1 7.049 -0.207 -2.497 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 8.051 1.108 1.504 0.00 0.00 +0.013 C ATOM 25 C LIG 1 9.390 1.848 1.544 0.00 0.00 +0.012 C ATOM 26 C LIG 1 8.039 -0.051 2.504 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -2.730 -2.548 0.126 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.995 -1.758 0.363 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -4.143 -0.446 -0.108 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -5.339 0.251 0.086 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -6.423 -0.349 0.742 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -6.276 -1.663 1.208 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -5.080 -2.361 1.015 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -7.680 0.388 0.948 0.00 0.00 -0.007 A ATOM 35 C LIG 1 -8.611 0.649 -0.085 0.00 0.00 +0.030 A ATOM 36 C LIG 1 -9.757 1.419 0.203 0.00 0.00 +0.012 A ATOM 37 C LIG 1 -9.996 1.909 1.487 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -9.092 1.642 2.506 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -7.946 0.892 2.239 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -8.444 0.145 -1.445 0.00 0.00 +0.205 A ATOM 41 N LIG 1 -8.873 0.791 -2.547 0.00 0.00 -0.133 NA ATOM 42 N LIG 1 -8.501 -0.081 -3.494 0.00 0.00 -0.176 N ATOM 43 H LIG 1 -8.655 0.094 -4.482 0.00 0.00 +0.214 HD ATOM 44 N LIG 1 -7.918 -1.204 -3.065 0.00 0.00 -0.049 NA ATOM 45 N LIG 1 -7.880 -1.074 -1.747 0.00 0.00 -0.108 NA ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 8