REMARK Name = BDB043277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.721 -1.803 -1.026 0.00 0.00 +0.165 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 1.622 -2.027 -0.255 0.00 0.00 -0.308 N ATOM 3 H LIG 1 1.746 -2.466 -1.171 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 0.385 -1.483 0.007 0.00 0.00 +0.234 C ATOM 5 O LIG 1 0.136 -0.828 1.022 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 2.845 -1.542 0.397 0.00 0.00 +0.102 C BRANCH 6 7 ATOM 7 C LIG 1 3.437 -0.370 -0.454 0.00 0.00 +0.143 C BRANCH 7 8 ATOM 8 O LIG 1 2.497 0.719 -0.441 0.00 0.00 -0.389 OA ATOM 9 H LIG 1 2.898 1.449 -0.960 0.00 0.00 +0.210 HD ENDBRANCH 7 8 BRANCH 7 10 ATOM 10 C LIG 1 4.801 0.126 0.042 0.00 0.00 +0.129 C BRANCH 10 13 ATOM 11 N LIG 1 6.741 1.301 -0.828 0.00 0.00 -0.315 N ATOM 12 H LIG 1 7.276 0.519 -0.468 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 5.369 1.181 -0.885 0.00 0.00 +0.216 C ATOM 14 O LIG 1 4.654 1.900 -1.583 0.00 0.00 -0.276 OA BRANCH 11 15 ATOM 15 C LIG 1 7.424 2.249 -1.687 0.00 0.00 +0.107 C BRANCH 15 16 ATOM 16 C LIG 1 8.941 2.306 -1.447 0.00 0.00 +0.003 C ATOM 17 C LIG 1 9.608 3.008 -2.639 0.00 0.00 +0.009 C BRANCH 16 19 ATOM 18 C LIG 1 8.889 2.356 1.134 0.00 0.00 +0.004 C ATOM 19 C LIG 1 9.342 3.038 -0.149 0.00 0.00 +0.001 C ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 10 13 ENDBRANCH 7 10 ENDBRANCH 6 7 BRANCH 6 20 ATOM 20 C LIG 1 3.802 -2.744 0.554 0.00 0.00 +0.028 C BRANCH 20 21 ATOM 21 C LIG 1 4.583 -2.770 1.884 0.00 0.00 -0.015 C ATOM 22 C LIG 1 3.672 -3.081 3.076 0.00 0.00 +0.007 C ATOM 23 C LIG 1 5.702 -3.814 1.806 0.00 0.00 +0.007 C ENDBRANCH 20 21 ENDBRANCH 6 20 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N LIG 1 -1.902 -1.058 -0.565 0.00 0.00 -0.303 N ATOM 25 H LIG 1 -1.746 -0.476 0.257 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 -3.173 -1.327 -1.002 0.00 0.00 +0.217 C ATOM 27 O LIG 1 -3.416 -2.195 -1.836 0.00 0.00 -0.275 OA BRANCH 26 28 ATOM 28 C LIG 1 -4.268 -0.434 -0.429 0.00 0.00 +0.084 C BRANCH 28 29 ATOM 29 C LIG 1 -4.342 -0.628 1.100 0.00 0.00 +0.048 C BRANCH 29 30 ATOM 30 C LIG 1 -5.731 -0.426 1.681 0.00 0.00 -0.039 A ATOM 31 C LIG 1 -6.795 -1.354 1.472 0.00 0.00 -0.015 A ATOM 32 C LIG 1 -8.075 -1.058 2.009 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -9.149 -1.943 1.808 0.00 0.00 +0.008 A ATOM 34 C LIG 1 -8.979 -3.128 1.095 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -7.731 -3.443 0.575 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -8.272 0.121 2.742 0.00 0.00 +0.008 A ATOM 37 C LIG 1 -7.223 1.008 2.961 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -6.657 -2.570 0.760 0.00 0.00 +0.009 A ATOM 39 C LIG 1 -5.964 0.734 2.441 0.00 0.00 +0.004 A ENDBRANCH 29 30 ENDBRANCH 28 29 BRANCH 28 40 ATOM 40 C LIG 1 -3.988 1.019 -0.883 0.00 0.00 +0.048 C BRANCH 40 41 ATOM 41 C LIG 1 -5.105 2.020 -0.647 0.00 0.00 -0.039 A ATOM 42 C LIG 1 -4.933 3.223 0.105 0.00 0.00 -0.015 A ATOM 43 C LIG 1 -6.044 4.096 0.249 0.00 0.00 -0.018 A ATOM 44 C LIG 1 -5.923 5.287 0.985 0.00 0.00 +0.008 A ATOM 45 C LIG 1 -4.719 5.645 1.581 0.00 0.00 +0.001 A ATOM 46 C LIG 1 -3.619 4.810 1.458 0.00 0.00 +0.001 A ATOM 47 C LIG 1 -7.272 3.781 -0.348 0.00 0.00 +0.008 A ATOM 48 C LIG 1 -7.426 2.617 -1.092 0.00 0.00 +0.001 A ATOM 49 C LIG 1 -3.725 3.618 0.735 0.00 0.00 +0.009 A ATOM 50 C LIG 1 -6.352 1.750 -1.244 0.00 0.00 +0.004 A ENDBRANCH 40 41 ENDBRANCH 28 40 ENDBRANCH 26 28 ENDBRANCH 1 24 BRANCH 1 51 ATOM 51 C LIG 1 -0.330 -1.379 -2.450 0.00 0.00 +0.088 C BRANCH 51 52 ATOM 52 C LIG 1 0.365 -2.453 -3.218 0.00 0.00 +0.061 A ATOM 53 N LIG 1 1.616 -2.904 -2.841 0.00 0.00 -0.241 NA ATOM 54 C LIG 1 1.946 -3.806 -3.737 0.00 0.00 +0.196 A ATOM 55 N LIG 1 0.961 -3.973 -4.670 0.00 0.00 -0.351 N ATOM 56 H LIG 1 0.992 -4.599 -5.463 0.00 0.00 +0.166 HD ATOM 57 C LIG 1 -0.052 -3.112 -4.355 0.00 0.00 +0.107 A ENDBRANCH 51 52 ENDBRANCH 1 51 TORSDOF 19