REMARK Name = BDB003942 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.635 1.353 -2.873 0.00 0.00 -0.035 A ATOM 2 C LIG 1 2.504 1.911 -1.919 0.00 0.00 +0.040 A ATOM 3 C LIG 1 3.342 2.985 -2.245 0.00 0.00 +0.013 A ATOM 4 C LIG 1 3.330 3.506 -3.538 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.479 2.960 -4.497 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.634 1.897 -4.167 0.00 0.00 +0.004 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 2.555 1.396 -0.533 0.00 0.00 +0.247 C ATOM 8 N LIG 1 3.614 0.573 -0.206 0.00 0.00 -0.296 N ATOM 9 C LIG 1 3.731 -0.009 1.121 0.00 0.00 +0.124 C ATOM 10 C LIG 1 5.161 -0.595 1.181 0.00 0.00 +0.064 C ATOM 11 C LIG 1 5.164 -1.804 2.109 0.00 0.00 +0.227 C ATOM 12 O LIG 1 4.307 -1.988 2.971 0.00 0.00 -0.275 OA ATOM 13 N LIG 1 6.185 -2.715 1.970 0.00 0.00 -0.256 N ATOM 14 H LIG 1 5.967 -3.552 2.502 0.00 0.00 +0.157 HD ATOM 15 C LIG 1 7.518 -2.465 2.172 0.00 0.00 +0.219 C ATOM 16 O LIG 1 8.211 -3.323 2.720 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 8.106 -1.148 1.732 0.00 0.00 +0.096 C ATOM 18 C LIG 1 7.406 0.037 2.367 0.00 0.00 +0.010 C ATOM 19 C LIG 1 6.161 0.500 1.614 0.00 0.00 +0.018 C ATOM 20 C LIG 1 5.339 -1.020 -0.298 0.00 0.00 +0.036 C ATOM 21 C LIG 1 4.630 0.061 -1.104 0.00 0.00 +0.109 C ATOM 22 O LIG 1 1.670 1.716 0.253 0.00 0.00 -0.270 OA ENDBRANCH 2 7 BRANCH 1 23 ATOM 23 C LIG 1 0.689 0.223 -2.543 0.00 0.00 +0.036 C BRANCH 23 24 ATOM 24 C LIG 1 -0.683 0.741 -2.100 0.00 0.00 +0.005 C BRANCH 24 25 ATOM 25 C LIG 1 -1.604 -0.413 -1.697 0.00 0.00 +0.000 C BRANCH 25 26 ATOM 26 C LIG 1 -3.021 0.038 -1.331 0.00 0.00 +0.002 C BRANCH 26 27 ATOM 27 C LIG 1 -3.075 0.909 -0.071 0.00 0.00 +0.019 C BRANCH 27 28 ATOM 28 C LIG 1 -4.506 1.265 0.325 0.00 0.00 +0.107 C BRANCH 28 30 ATOM 29 C LIG 1 -6.607 0.091 0.811 0.00 0.00 +0.401 C ATOM 30 N LIG 1 -5.245 0.114 0.788 0.00 0.00 -0.281 N ATOM 31 H LIG 1 -4.805 -0.551 1.409 0.00 0.00 +0.152 HD ATOM 32 O LIG 1 -7.334 0.931 0.307 0.00 0.00 -0.226 OA BRANCH 29 33 ATOM 33 O LIG 1 -7.006 -1.006 1.494 0.00 0.00 -0.445 OA BRANCH 33 35 ATOM 34 C LIG 1 -9.120 -1.526 0.339 0.00 0.00 +0.055 C ATOM 35 C LIG 1 -8.416 -1.290 1.681 0.00 0.00 +0.107 C ATOM 36 C LIG 1 -8.447 -2.598 2.487 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -9.102 -0.193 2.502 0.00 0.00 +0.055 C ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 10