REMARK Name = BDB046541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.967 0.867 -0.076 0.00 0.00 +0.262 C ATOM 2 C LIG 1 0.003 0.384 -1.165 0.00 0.00 +0.261 C ATOM 3 O LIG 1 -0.271 -0.540 -1.931 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 1.255 1.002 -1.129 0.00 0.00 -0.265 N ATOM 5 C LIG 1 1.447 2.156 -0.314 0.00 0.00 +0.078 A ATOM 6 C LIG 1 0.335 2.746 0.307 0.00 0.00 +0.143 A ATOM 7 C LIG 1 0.460 3.916 1.060 0.00 0.00 +0.047 A ATOM 8 C LIG 1 1.710 4.502 1.233 0.00 0.00 +0.004 A ATOM 9 C LIG 1 2.828 3.922 0.642 0.00 0.00 +0.002 A ATOM 10 C LIG 1 2.697 2.761 -0.130 0.00 0.00 +0.027 A ATOM 11 O LIG 1 -0.941 2.265 0.177 0.00 0.00 -0.478 OA ENDROOT BRANCH 1 12 ATOM 12 C LIG 1 -2.408 0.469 -0.415 0.00 0.00 +0.095 C BRANCH 12 13 ATOM 13 C LIG 1 -3.381 0.846 0.700 0.00 0.00 +0.233 C BRANCH 13 14 ATOM 14 O LIG 1 -4.707 0.430 0.372 0.00 0.00 -0.492 OA BRANCH 14 16 ATOM 15 C LIG 1 -6.519 -1.044 0.610 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -5.143 -0.800 0.787 0.00 0.00 +0.124 A ATOM 17 C LIG 1 -4.335 -1.799 1.335 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -4.885 -3.026 1.716 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -6.245 -3.268 1.546 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -7.059 -2.283 0.991 0.00 0.00 +0.008 A BRANCH 15 21 ATOM 21 C LIG 1 -7.419 0.005 -0.007 0.00 0.00 +0.159 C BRANCH 21 23 ATOM 22 O LIG 1 -6.828 -0.693 -2.289 0.00 0.00 -0.251 OA ATOM 23 C LIG 1 -7.251 0.136 -1.500 0.00 0.00 +0.309 C BRANCH 23 24 ATOM 24 O LIG 1 -7.707 1.323 -1.960 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -7.537 1.269 -2.924 0.00 0.00 +0.295 HD ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 15 21 ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 1 12 BRANCH 4 26 ATOM 26 C LIG 1 2.297 0.486 -2.014 0.00 0.00 +0.114 C BRANCH 26 27 ATOM 27 C LIG 1 2.934 -0.819 -1.517 0.00 0.00 +0.019 C BRANCH 27 28 ATOM 28 C LIG 1 3.717 -0.659 -0.210 0.00 0.00 +0.002 C BRANCH 28 29 ATOM 29 C LIG 1 4.372 -1.964 0.258 0.00 0.00 +0.000 C BRANCH 29 30 ATOM 30 C LIG 1 5.575 -2.415 -0.579 0.00 0.00 +0.002 C BRANCH 30 31 ATOM 31 C LIG 1 6.938 -2.010 -0.002 0.00 0.00 +0.028 C BRANCH 31 32 ATOM 32 C LIG 1 7.198 -0.512 0.075 0.00 0.00 +0.156 C BRANCH 32 33 ATOM 33 O LIG 1 7.054 0.079 -1.209 0.00 0.00 -0.395 OA ATOM 34 H LIG 1 7.353 1.001 -1.133 0.00 0.00 +0.209 HD ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 15