REMARK Name = BDB000273 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.916 -0.524 -1.407 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.161 0.223 -1.879 0.00 0.00 +0.047 A ATOM 3 C LIG 1 1.355 -0.415 -2.246 0.00 0.00 +0.027 A ATOM 4 C LIG 1 1.492 -1.804 -2.139 0.00 0.00 +0.037 A ATOM 5 C LIG 1 0.398 -2.547 -1.687 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.792 -1.911 -1.318 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 2.702 -2.467 -2.504 0.00 0.00 -0.263 N ATOM 8 C LIG 1 4.025 -1.857 -2.235 0.00 0.00 +0.133 C ATOM 9 C LIG 1 5.140 -2.955 -2.229 0.00 0.00 +0.107 C ATOM 10 N LIG 1 5.024 -4.037 -3.216 0.00 0.00 -0.306 NA ATOM 11 H LIG 1 4.799 -4.906 -2.728 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 3.957 -3.773 -4.186 0.00 0.00 +0.178 C ATOM 13 C LIG 1 2.625 -3.469 -3.496 0.00 0.00 +0.234 C ATOM 14 O LIG 1 1.592 -4.026 -3.867 0.00 0.00 -0.274 OA BRANCH 8 15 ATOM 15 C LIG 1 4.141 -1.096 -0.886 0.00 0.00 +0.253 C BRANCH 15 16 ATOM 16 O LIG 1 5.467 -0.573 -0.754 0.00 0.00 -0.490 OA BRANCH 16 17 ATOM 17 C LIG 1 5.763 0.101 0.399 0.00 0.00 +0.121 A ATOM 18 C LIG 1 7.072 0.586 0.470 0.00 0.00 +0.054 A ATOM 19 C LIG 1 7.525 1.300 1.591 0.00 0.00 -0.014 A ATOM 20 C LIG 1 6.639 1.529 2.666 0.00 0.00 -0.018 A ATOM 21 C LIG 1 7.090 2.243 3.789 0.00 0.00 +0.008 A ATOM 22 C LIG 1 8.399 2.724 3.849 0.00 0.00 +0.001 A ATOM 23 C LIG 1 9.272 2.499 2.789 0.00 0.00 +0.001 A ATOM 24 C LIG 1 5.327 1.038 2.586 0.00 0.00 +0.012 A ATOM 25 C LIG 1 8.839 1.791 1.667 0.00 0.00 +0.008 A ATOM 26 C LIG 1 4.891 0.329 1.461 0.00 0.00 +0.046 A ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 4 7 BRANCH 1 27 ATOM 27 O LIG 1 -2.129 -0.032 -1.014 0.00 0.00 -0.492 OA BRANCH 27 28 ATOM 28 C LIG 1 -2.327 1.377 -1.119 0.00 0.00 +0.231 C BRANCH 28 29 ATOM 29 C LIG 1 -3.739 1.709 -0.651 0.00 0.00 +0.069 C BRANCH 29 30 ATOM 30 C LIG 1 -3.959 1.332 0.812 0.00 0.00 +0.163 C BRANCH 30 31 ATOM 31 O LIG 1 -5.218 1.820 1.279 0.00 0.00 -0.375 OA BRANCH 31 32 ATOM 32 C LIG 1 -6.308 0.950 0.956 0.00 0.00 +0.198 C BRANCH 32 34 ATOM 33 C LIG 1 -8.809 0.747 1.249 0.00 0.00 +0.125 A ATOM 34 C LIG 1 -7.628 1.483 1.473 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -7.706 2.700 2.172 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -8.928 3.177 2.641 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -10.090 2.446 2.418 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -10.032 1.235 1.724 0.00 0.00 +0.046 A BRANCH 33 40 ATOM 39 C LIG 1 -9.820 -1.210 0.329 0.00 0.00 +0.277 C ATOM 40 O LIG 1 -8.654 -0.428 0.558 0.00 0.00 -0.495 OA ENDBRANCH 33 40 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 12