REMARK Name = BDB006521 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.132 -4.446 -0.730 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.393 -3.249 0.118 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.503 -2.159 0.346 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.139 -1.251 1.192 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.479 -0.054 1.598 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.776 0.215 1.146 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.444 -0.687 0.317 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.393 -1.771 1.468 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.810 -1.867 -0.099 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.552 -2.989 0.834 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.798 -3.804 0.938 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.825 -0.423 -0.172 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.639 0.308 0.671 0.00 0.00 -0.305 N ATOM 14 H LIG 1 4.346 0.397 1.635 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 4.197 -0.872 -1.250 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.054 0.523 0.359 0.00 0.00 +0.115 C ATOM 17 C LIG 1 6.245 1.460 -0.840 0.00 0.00 +0.064 C ATOM 18 C LIG 1 7.672 1.924 -0.946 0.00 0.00 -0.004 A ATOM 19 C LIG 1 8.559 1.783 0.126 0.00 0.00 +0.124 A ATOM 20 C LIG 1 9.884 2.200 0.004 0.00 0.00 +0.046 A ATOM 21 C LIG 1 10.328 2.787 -1.180 0.00 0.00 +0.004 A ATOM 22 C LIG 1 9.446 2.954 -2.246 0.00 0.00 +0.000 A ATOM 23 O LIG 1 8.216 1.215 1.324 0.00 0.00 -0.490 OA ATOM 24 C LIG 1 8.123 2.525 -2.130 0.00 0.00 +0.007 A ATOM 25 C LIG 1 6.808 1.125 1.549 0.00 0.00 +0.251 C ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 -2.378 -1.142 2.350 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -3.529 -0.513 1.601 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -4.848 -0.787 1.992 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -5.927 -0.199 1.325 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -5.718 0.684 0.256 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -4.399 0.971 -0.120 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -3.318 0.383 0.544 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -6.855 1.303 -0.443 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -7.756 0.574 -1.245 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -8.874 1.194 -1.823 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -9.089 2.559 -1.639 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -8.196 3.302 -0.873 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.094 2.680 -0.279 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -7.592 -0.868 -1.510 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -8.446 -1.721 -1.358 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -6.390 -1.137 -2.045 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -6.392 -2.104 -2.191 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 7