REMARK Name = BDB058246 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.175 0.279 -0.054 0.00 0.00 +0.035 A ATOM 2 C LIG 1 5.565 1.516 -0.310 0.00 0.00 +0.027 A ATOM 3 C LIG 1 4.236 1.541 -0.707 0.00 0.00 -0.038 A ATOM 4 C LIG 1 3.387 2.740 -1.004 0.00 0.00 +0.040 C ATOM 5 C LIG 1 2.215 2.106 -1.769 0.00 0.00 +0.067 C ATOM 6 C LIG 1 2.084 0.672 -1.233 0.00 0.00 +0.216 C ATOM 7 C LIG 1 1.078 0.563 -0.116 0.00 0.00 +0.273 C ATOM 8 O LIG 1 1.083 1.163 0.950 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 0.146 -0.327 -0.534 0.00 0.00 -0.195 N ATOM 10 C LIG 1 0.418 -0.750 -1.786 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -0.256 -1.524 -2.447 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.588 -0.212 -2.234 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 3.497 0.361 -0.833 0.00 0.00 +0.008 A ATOM 14 C LIG 1 4.083 -0.868 -0.581 0.00 0.00 +0.010 A ATOM 15 C LIG 1 5.427 -0.903 -0.191 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 10.608 -1.315 1.333 0.00 0.00 +0.129 C ATOM 17 N LIG 1 9.591 -0.338 1.027 0.00 0.00 -0.302 N ATOM 18 H LIG 1 9.536 0.452 1.651 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 8.372 -0.767 0.531 0.00 0.00 +0.304 C ATOM 20 N LIG 1 7.524 0.304 0.352 0.00 0.00 -0.269 N ATOM 21 H LIG 1 7.970 1.208 0.379 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 8.137 -1.943 0.291 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.078 -0.619 0.177 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.133 0.438 -0.181 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.367 0.369 0.470 0.00 0.00 -0.293 N ATOM 26 C LIG 1 -4.399 1.354 0.103 0.00 0.00 +0.080 C ATOM 27 C LIG 1 -5.465 0.758 -0.830 0.00 0.00 +0.027 C ATOM 28 C LIG 1 -6.275 -0.408 -0.259 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -5.532 -1.723 -0.237 0.00 0.00 -0.040 A ATOM 30 C LIG 1 -4.358 -1.897 0.525 0.00 0.00 -0.027 A ATOM 31 C LIG 1 -3.740 -3.161 0.559 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -4.260 -4.230 -0.170 0.00 0.00 +0.038 A ATOM 33 C LIG 1 -5.407 -4.044 -0.925 0.00 0.00 +0.124 A ATOM 34 F LIG 1 -5.913 -5.071 -1.621 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -6.046 -2.811 -0.962 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -3.771 -0.754 1.321 0.00 0.00 +0.143 C ATOM 37 O LIG 1 -1.873 1.322 -1.004 0.00 0.00 -0.274 OA BRANCH 26 38 ATOM 38 C LIG 1 -4.907 2.076 1.341 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -5.447 3.484 1.188 0.00 0.00 +0.006 C ATOM 40 C LIG 1 -6.359 2.387 1.642 0.00 0.00 +0.006 C ENDBRANCH 26 38 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4