REMARK Name = BDB004614 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.138 -2.778 0.880 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.114 -2.369 0.021 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.226 -2.370 0.444 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -1.530 -2.782 1.750 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.517 -3.196 2.613 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.810 -3.192 2.179 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.063 -2.502 -0.704 0.00 0.00 +0.222 C ATOM 8 N LIG 1 2.503 -2.802 0.526 0.00 0.00 -0.285 N ATOM 9 H LIG 1 3.144 -3.065 1.263 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.461 -2.159 -1.719 0.00 0.00 -0.275 OA BRANCH 7 11 ATOM 11 C LIG 1 4.579 -2.639 -0.708 0.00 0.00 +0.131 C BRANCH 11 15 ATOM 12 C LIG 1 6.556 0.958 0.660 0.00 0.00 +0.120 A ATOM 13 C LIG 1 5.833 0.960 -0.533 0.00 0.00 +0.046 A ATOM 14 C LIG 1 5.198 -0.207 -0.969 0.00 0.00 +0.007 A ATOM 15 C LIG 1 5.274 -1.391 -0.221 0.00 0.00 -0.038 A ATOM 16 C LIG 1 6.001 -1.390 0.972 0.00 0.00 +0.007 A ATOM 17 C LIG 1 6.637 -0.223 1.407 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 7.159 3.251 0.481 0.00 0.00 +0.277 C ATOM 19 O LIG 1 7.223 2.023 1.200 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 7 11 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 -2.328 -1.898 -0.478 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 -2.781 -0.590 -0.016 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -2.007 0.069 -0.011 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.862 -0.037 -0.733 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -4.356 1.234 -0.369 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -5.447 1.724 -1.115 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -5.950 2.998 -0.770 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -5.389 3.751 0.282 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -4.327 3.252 1.018 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -5.979 0.983 -2.113 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -5.442 -0.218 -2.358 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -3.815 2.003 0.696 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -4.412 -0.765 -1.715 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -7.103 3.643 -1.476 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -7.517 4.751 -1.149 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -7.696 2.972 -2.502 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -7.374 2.049 -2.779 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -8.477 3.399 -2.980 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 8