REMARK Name = BDB002637 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.003 0.467 0.376 0.00 0.00 +0.376 C ATOM 2 O LIG 1 0.071 -0.680 0.806 0.00 0.00 -0.241 OA ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.122 1.245 -0.109 0.00 0.00 +0.219 A ATOM 4 C LIG 1 2.471 0.923 -0.243 0.00 0.00 +0.050 A ATOM 5 C LIG 1 3.096 2.078 -0.815 0.00 0.00 +0.027 A ATOM 6 C LIG 1 2.093 3.025 -0.967 0.00 0.00 +0.136 A ATOM 7 C LIG 1 2.288 4.300 -1.492 0.00 0.00 +0.047 A ATOM 8 C LIG 1 3.590 4.622 -1.888 0.00 0.00 +0.004 A ATOM 9 C LIG 1 4.630 3.700 -1.756 0.00 0.00 +0.001 A ATOM 10 C LIG 1 4.400 2.424 -1.222 0.00 0.00 +0.012 A ATOM 11 O LIG 1 0.906 2.528 -0.538 0.00 0.00 -0.448 OA BRANCH 4 12 ATOM 12 C LIG 1 3.115 -0.383 0.104 0.00 0.00 +0.269 C BRANCH 12 13 ATOM 13 O LIG 1 4.445 -0.193 0.595 0.00 0.00 -0.487 OA BRANCH 13 14 ATOM 14 C LIG 1 5.165 -1.315 0.899 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.712 -2.633 0.813 0.00 0.00 +0.045 A ATOM 16 C LIG 1 5.561 -3.690 1.156 0.00 0.00 +0.004 A ATOM 17 C LIG 1 6.862 -3.436 1.587 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.317 -2.123 1.678 0.00 0.00 +0.004 A ATOM 19 C LIG 1 6.470 -1.069 1.335 0.00 0.00 +0.045 A ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 4 12 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 O LIG 1 -1.150 1.194 0.309 0.00 0.00 -0.450 OA BRANCH 20 21 ATOM 21 C LIG 1 -2.338 0.474 0.653 0.00 0.00 +0.328 C BRANCH 21 32 ATOM 22 O LIG 1 -6.598 -0.346 -3.391 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -6.147 -0.446 -2.251 0.00 0.00 +0.235 C ATOM 24 N LIG 1 -6.961 -0.251 -1.170 0.00 0.00 -0.283 N ATOM 25 H LIG 1 -7.926 -0.033 -1.377 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 -6.533 -0.432 0.148 0.00 0.00 +0.055 A ATOM 27 C LIG 1 -5.173 -0.645 0.442 0.00 0.00 +0.058 A ATOM 28 C LIG 1 -4.824 -0.913 1.770 0.00 0.00 +0.025 A ATOM 29 C LIG 1 -5.787 -0.885 2.785 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -7.116 -0.605 2.485 0.00 0.00 +0.002 A ATOM 31 N LIG 1 -4.223 -0.612 -0.623 0.00 0.00 -0.258 N ATOM 32 C LIG 1 -2.855 -0.353 -0.534 0.00 0.00 +0.258 C ATOM 33 O LIG 1 -2.086 -0.678 -1.445 0.00 0.00 -0.271 OA ATOM 34 C LIG 1 -7.494 -0.386 1.163 0.00 0.00 +0.025 A ATOM 35 C LIG 1 -4.734 -0.931 -1.961 0.00 0.00 +0.209 C ENDBRANCH 21 32 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7