REMARK Name = BDB036152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.799 -0.664 -2.364 0.00 0.00 +0.186 A ATOM 2 C LIG 1 2.652 -0.624 -3.149 0.00 0.00 +0.167 A ATOM 3 N LIG 1 2.735 -0.654 -4.499 0.00 0.00 -0.217 NA ATOM 4 C LIG 1 3.962 -0.686 -5.042 0.00 0.00 +0.223 A ATOM 5 N LIG 1 5.122 -0.694 -4.374 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 5.008 -0.673 -3.034 0.00 0.00 +0.162 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 1.361 -0.594 -2.581 0.00 0.00 -0.311 N ATOM 8 C LIG 1 0.185 -0.153 -3.278 0.00 0.00 +0.115 C ATOM 9 C LIG 1 -0.492 -0.012 -1.891 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -1.266 1.290 -1.659 0.00 0.00 +0.025 C ATOM 11 C LIG 1 -2.765 1.015 -1.717 0.00 0.00 +0.085 C ATOM 12 N LIG 1 -3.190 0.137 -0.614 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 -2.216 -0.927 -0.311 0.00 0.00 +0.085 C ATOM 14 C LIG 1 -1.294 -1.259 -1.484 0.00 0.00 +0.025 C ATOM 15 C LIG 1 0.963 0.044 -1.359 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 -4.555 -0.361 -0.844 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 -5.258 -0.838 0.449 0.00 0.00 +0.006 C ATOM 18 C LIG 1 -6.686 -1.385 0.180 0.00 0.00 -0.006 C ATOM 19 C LIG 1 -7.660 -0.245 -0.186 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -7.733 0.797 0.971 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -6.761 0.366 2.099 0.00 0.00 -0.001 C ATOM 22 C LIG 1 -7.163 -1.025 2.629 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -9.173 0.974 1.456 0.00 0.00 +0.131 C ATOM 24 C LIG 1 -9.718 1.987 0.493 0.00 0.00 +0.308 C ATOM 25 O LIG 1 -10.900 2.209 0.290 0.00 0.00 -0.251 OA ATOM 26 O LIG 1 -8.693 2.657 -0.108 0.00 0.00 -0.464 OA ATOM 27 C LIG 1 -7.459 2.208 0.454 0.00 0.00 +0.239 C ATOM 28 C LIG 1 -7.197 -2.039 1.479 0.00 0.00 +0.004 C ATOM 29 C LIG 1 -5.330 0.265 1.531 0.00 0.00 +0.009 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 30 ATOM 30 O LIG 1 3.740 -0.616 -1.000 0.00 0.00 -0.450 OA BRANCH 30 32 ATOM 31 C LIG 1 4.842 -1.377 0.965 0.00 0.00 +0.082 A ATOM 32 C LIG 1 4.284 -1.664 -0.290 0.00 0.00 +0.141 A ATOM 33 C LIG 1 4.255 -2.991 -0.735 0.00 0.00 +0.050 A ATOM 34 C LIG 1 4.807 -4.003 0.056 0.00 0.00 +0.042 A ATOM 35 C LIG 1 5.365 -3.692 1.293 0.00 0.00 +0.124 A ATOM 36 F LIG 1 5.888 -4.669 2.044 0.00 0.00 -0.205 F ATOM 37 C LIG 1 5.381 -2.387 1.765 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 5.986 0.789 1.416 0.00 0.00 -0.292 N ATOM 39 C LIG 1 4.819 -0.001 1.487 0.00 0.00 +0.251 C ATOM 40 O LIG 1 3.758 0.369 1.986 0.00 0.00 -0.270 OA BRANCH 38 42 ATOM 41 C LIG 1 7.097 2.686 2.717 0.00 0.00 +0.028 C ATOM 42 C LIG 1 5.859 2.147 2.006 0.00 0.00 +0.070 C ATOM 43 C LIG 1 5.305 3.160 1.000 0.00 0.00 +0.028 C ENDBRANCH 38 42 BRANCH 38 44 ATOM 44 C LIG 1 7.193 0.355 0.660 0.00 0.00 +0.070 C ATOM 45 C LIG 1 8.350 -0.049 1.575 0.00 0.00 +0.028 C ATOM 46 C LIG 1 7.639 1.321 -0.436 0.00 0.00 +0.028 C ENDBRANCH 38 44 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 8