REMARK Name = BDB024896 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.277 1.148 -0.560 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.316 0.127 -0.471 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.806 -1.257 -0.646 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.633 -1.715 0.566 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.710 -2.306 -0.892 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.614 -1.740 -1.769 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.033 -0.556 -1.050 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.643 -0.313 -1.011 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.362 -1.072 -1.540 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.490 -0.479 -1.197 0.00 0.00 +0.145 A ATOM 11 N LIG 1 -1.232 0.737 -0.572 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.130 0.803 -0.355 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.973 1.683 0.324 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.354 1.440 0.280 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.901 0.356 -0.416 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.487 0.936 -0.625 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.262 1.731 -0.246 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.780 1.597 1.193 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.182 2.597 2.178 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.323 4.022 1.642 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.595 4.199 0.319 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.994 3.169 -0.735 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.870 2.467 3.521 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.615 3.274 4.050 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.571 1.308 4.141 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.056 1.365 4.992 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 5.735 3.441 -0.794 0.00 0.00 +0.282 C ATOM 28 O LIG 1 4.761 2.409 -0.638 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.865 -1.035 -1.470 0.00 0.00 +0.217 C BRANCH 29 30 ATOM 30 C LIG 1 -2.933 -2.538 -1.277 0.00 0.00 +0.068 A ATOM 31 C LIG 1 -2.662 -3.419 -2.331 0.00 0.00 +0.168 A ATOM 32 F LIG 1 -2.364 -2.940 -3.550 0.00 0.00 -0.202 F ATOM 33 C LIG 1 -2.690 -4.795 -2.140 0.00 0.00 +0.159 A ATOM 34 F LIG 1 -2.438 -5.623 -3.163 0.00 0.00 -0.202 F ATOM 35 C LIG 1 -2.980 -5.328 -0.892 0.00 0.00 +0.045 A ATOM 36 C LIG 1 -3.235 -4.470 0.180 0.00 0.00 +0.049 A ATOM 37 C LIG 1 -3.201 -3.080 -0.001 0.00 0.00 +0.129 A BRANCH 37 38 ATOM 38 O LIG 1 -3.429 -2.169 1.000 0.00 0.00 -0.495 OA ATOM 39 C LIG 1 -3.417 -2.653 2.338 0.00 0.00 +0.277 C ENDBRANCH 37 38 ENDBRANCH 29 30 BRANCH 29 40 ATOM 40 O LIG 1 -3.204 -0.629 -2.797 0.00 0.00 -0.379 OA ATOM 41 H LIG 1 -2.537 -1.051 -3.373 0.00 0.00 +0.211 HD ENDBRANCH 29 40 ENDBRANCH 10 29 TORSDOF 8