REMARK Name = BDB034108 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.563 3.360 2.005 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -1.101 2.442 1.331 0.00 0.00 +0.247 C ATOM 3 N LIG 1 0.260 2.149 1.270 0.00 0.00 -0.297 N ATOM 4 C LIG 1 0.823 0.897 0.754 0.00 0.00 +0.111 C ATOM 5 C LIG 1 1.981 0.409 1.618 0.00 0.00 +0.063 C ATOM 6 C LIG 1 3.103 1.452 1.730 0.00 0.00 +0.176 C ATOM 7 C LIG 1 2.603 2.879 1.462 0.00 0.00 +0.063 C ATOM 8 C LIG 1 1.176 3.063 1.947 0.00 0.00 +0.111 C ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -2.048 1.622 0.543 0.00 0.00 +0.038 A ATOM 10 C LIG 1 -3.139 1.041 1.192 0.00 0.00 +0.025 A ATOM 11 C LIG 1 -4.075 0.273 0.475 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -3.900 0.114 -0.922 0.00 0.00 +0.129 A ATOM 13 C LIG 1 -2.815 0.725 -1.565 0.00 0.00 +0.047 A ATOM 14 C LIG 1 -1.894 1.482 -0.836 0.00 0.00 +0.016 A BRANCH 11 15 ATOM 15 C LIG 1 -5.211 -0.327 1.199 0.00 0.00 -0.014 A ATOM 16 C LIG 1 -6.531 0.078 0.937 0.00 0.00 +0.017 A ATOM 17 C LIG 1 -7.623 -0.476 1.626 0.00 0.00 -0.017 A ATOM 18 C LIG 1 -7.392 -1.464 2.609 0.00 0.00 -0.018 A ATOM 19 C LIG 1 -8.483 -2.017 3.299 0.00 0.00 +0.008 A ATOM 20 C LIG 1 -9.786 -1.601 3.023 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -10.015 -0.628 2.054 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -6.076 -1.869 2.874 0.00 0.00 +0.009 A ATOM 23 C LIG 1 -8.941 -0.069 1.360 0.00 0.00 +0.008 A ATOM 24 C LIG 1 -5.001 -1.307 2.179 0.00 0.00 +0.009 A ENDBRANCH 11 15 BRANCH 12 25 ATOM 25 O LIG 1 -4.840 -0.659 -1.555 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 -4.796 -0.803 -2.970 0.00 0.00 +0.188 C ATOM 27 C LIG 1 -5.361 0.414 -3.718 0.00 0.00 +0.125 C ATOM 28 N LIG 1 -6.487 -0.052 -4.549 0.00 0.00 -0.312 NA ATOM 29 H LIG 1 -7.346 0.081 -4.011 0.00 0.00 +0.122 HD ATOM 30 C LIG 1 -6.273 -1.494 -4.708 0.00 0.00 +0.084 C ATOM 31 C LIG 1 -5.749 -1.930 -3.358 0.00 0.00 +0.061 C ENDBRANCH 25 26 ENDBRANCH 12 25 ENDBRANCH 2 9 BRANCH 6 32 ATOM 32 O LIG 1 4.126 1.192 0.758 0.00 0.00 -0.489 OA BRANCH 32 33 ATOM 33 C LIG 1 5.152 0.349 1.088 0.00 0.00 +0.125 A ATOM 34 C LIG 1 6.228 0.359 0.186 0.00 0.00 +0.069 A ATOM 35 C LIG 1 7.373 -0.444 0.352 0.00 0.00 +0.036 A ATOM 36 C LIG 1 7.388 -1.270 1.482 0.00 0.00 +0.061 A ATOM 37 C LIG 1 6.317 -1.293 2.374 0.00 0.00 +0.129 A ATOM 38 F LIG 1 6.366 -2.112 3.434 0.00 0.00 -0.205 F ATOM 39 C LIG 1 5.198 -0.494 2.188 0.00 0.00 +0.084 A BRANCH 35 40 ATOM 40 N LIG 1 8.426 -0.406 -0.548 0.00 0.00 -0.327 N ATOM 41 C LIG 1 9.747 -0.976 -0.229 0.00 0.00 +0.120 C ATOM 42 C LIG 1 10.848 -0.314 -1.089 0.00 0.00 +0.100 C ATOM 43 N LIG 1 10.664 -0.423 -2.549 0.00 0.00 -0.313 NA ATOM 44 H LIG 1 11.006 0.437 -2.977 0.00 0.00 +0.122 HD ATOM 45 C LIG 1 9.245 -0.613 -2.897 0.00 0.00 +0.100 C ATOM 46 C LIG 1 8.228 0.046 -1.936 0.00 0.00 +0.120 C ENDBRANCH 35 40 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7