REMARK Name = BDB034425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.759 0.191 -2.946 0.00 0.00 +0.130 A ATOM 2 C LIG 1 3.716 1.417 -2.283 0.00 0.00 +0.074 A ATOM 3 C LIG 1 2.629 1.781 -1.501 0.00 0.00 +0.076 A ATOM 4 C LIG 1 1.534 0.890 -1.367 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.447 1.284 -0.531 0.00 0.00 +0.038 A ATOM 6 C LIG 1 0.487 2.566 0.022 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.601 3.357 -0.183 0.00 0.00 +0.113 A ATOM 8 C LIG 1 1.581 -0.334 -2.082 0.00 0.00 +0.015 A ATOM 9 N LIG 1 2.667 2.983 -0.912 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 2.681 -0.678 -2.868 0.00 0.00 +0.047 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 -0.672 0.448 -0.381 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -0.423 -0.536 -0.427 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -1.726 0.694 0.603 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -1.268 0.317 2.011 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -2.291 0.655 3.101 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -3.517 -0.136 3.037 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -3.388 -0.967 2.460 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -4.652 0.625 2.515 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 -5.854 -0.267 2.329 0.00 0.00 +0.011 A ATOM 20 C LIG 1 -6.196 -0.797 1.081 0.00 0.00 +0.163 A ATOM 21 C LIG 1 -7.307 -1.638 0.912 0.00 0.00 +0.162 A ATOM 22 C LIG 1 -8.088 -1.960 2.021 0.00 0.00 +0.049 A ATOM 23 C LIG 1 -7.755 -1.451 3.279 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -6.646 -0.615 3.432 0.00 0.00 +0.009 A BRANCH 20 25 ATOM 25 O LIG 1 -5.423 -0.496 -0.013 0.00 0.00 -0.503 OA ATOM 26 H LIG 1 -5.854 -0.960 -0.758 0.00 0.00 +0.292 HD ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O LIG 1 -7.512 -2.071 -0.374 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 -8.631 -2.923 -0.588 0.00 0.00 +0.277 C ENDBRANCH 21 27 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 29 ATOM 29 O LIG 1 4.804 -0.181 -3.762 0.00 0.00 -0.456 OA BRANCH 29 32 ATOM 30 C LIG 1 7.784 -0.300 -1.575 0.00 0.00 +0.124 A ATOM 31 C LIG 1 6.466 -0.467 -2.009 0.00 0.00 +0.091 A ATOM 32 C LIG 1 6.078 -0.011 -3.271 0.00 0.00 +0.132 A ATOM 33 C LIG 1 7.011 0.577 -4.122 0.00 0.00 +0.046 A ATOM 34 C LIG 1 8.327 0.745 -3.693 0.00 0.00 +0.007 A ATOM 35 C LIG 1 8.713 0.311 -2.421 0.00 0.00 +0.046 A BRANCH 30 37 ATOM 36 C LIG 1 9.352 -0.595 0.189 0.00 0.00 +0.277 C ATOM 37 O LIG 1 8.037 -0.780 -0.318 0.00 0.00 -0.495 OA ENDBRANCH 30 37 ENDBRANCH 29 32 ENDBRANCH 1 29 TORSDOF 12