REMARK Name = BDB064442 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.554 1.069 1.535 0.00 0.00 +0.153 C ATOM 2 C LIG 1 0.765 2.416 0.835 0.00 0.00 +0.176 C ATOM 3 C LIG 1 2.143 2.268 0.210 0.00 0.00 +0.195 C ATOM 4 C LIG 1 2.856 1.439 1.280 0.00 0.00 +0.253 C ATOM 5 O LIG 1 1.875 0.616 1.937 0.00 0.00 -0.348 OA ENDROOT BRANCH 4 6 ATOM 6 N LIG 1 3.922 0.590 0.791 0.00 0.00 -0.286 N ATOM 7 C LIG 1 3.862 -0.325 -0.225 0.00 0.00 +0.167 A ATOM 8 C LIG 1 5.140 -0.855 -0.305 0.00 0.00 +0.147 A ATOM 9 C LIG 1 5.357 -1.833 -1.291 0.00 0.00 +0.147 A ATOM 10 N LIG 1 4.319 -2.204 -2.074 0.00 0.00 -0.219 NA ATOM 11 C LIG 1 3.126 -1.597 -1.892 0.00 0.00 +0.225 A ATOM 12 N LIG 1 5.966 -0.291 0.647 0.00 0.00 -0.231 NA ATOM 13 N LIG 1 2.808 -0.641 -0.994 0.00 0.00 -0.216 NA ATOM 14 C LIG 1 5.200 0.563 1.291 0.00 0.00 +0.203 A BRANCH 9 15 ATOM 15 N LIG 1 6.584 -2.452 -1.491 0.00 0.00 -0.341 N ATOM 16 H LIG 1 7.194 -2.405 -0.682 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 6.482 -3.346 -1.954 0.00 0.00 +0.144 HD ENDBRANCH 9 15 ENDBRANCH 4 6 BRANCH 2 18 ATOM 18 O LIG 1 0.801 3.467 1.814 0.00 0.00 -0.387 OA ATOM 19 H LIG 1 1.298 4.194 1.385 0.00 0.00 +0.210 HD ENDBRANCH 2 18 BRANCH 3 20 ATOM 20 O LIG 1 2.735 3.552 -0.010 0.00 0.00 -0.385 OA ATOM 21 H LIG 1 3.477 3.423 -0.630 0.00 0.00 +0.210 HD ENDBRANCH 3 20 BRANCH 1 22 ATOM 22 C LIG 1 -0.042 -0.016 0.629 0.00 0.00 +0.053 C BRANCH 22 23 ATOM 23 C LIG 1 -1.587 -0.130 0.624 0.00 0.00 +0.056 C BRANCH 23 24 ATOM 24 N LIG 1 -2.187 1.195 0.384 0.00 0.00 -0.313 NA ATOM 25 H LIG 1 -1.900 1.835 1.127 0.00 0.00 +0.122 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.653 1.204 0.353 0.00 0.00 +0.084 C BRANCH 26 28 ATOM 27 C LIG 1 -3.746 3.476 -0.804 0.00 0.00 +0.008 C ATOM 28 C LIG 1 -4.202 2.646 0.399 0.00 0.00 -0.003 C ATOM 29 C LIG 1 -5.731 2.619 0.461 0.00 0.00 +0.008 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 C LIG 1 -2.022 -1.170 -0.443 0.00 0.00 +0.021 C BRANCH 30 31 ATOM 31 C LIG 1 -1.542 -2.604 -0.153 0.00 0.00 +0.031 C BRANCH 31 32 ATOM 32 CA LIG 1 -1.889 -3.565 -1.296 0.00 0.00 +0.161 C BRANCH 32 33 ATOM 33 N LIG 1 -1.912 -4.975 -0.796 0.00 0.00 -0.318 NA ATOM 34 H1 LIG 1 -2.727 -5.074 -0.183 0.00 0.00 +0.119 HD ATOM 35 H2 LIG 1 -1.112 -5.103 -0.165 0.00 0.00 +0.119 HD ENDBRANCH 32 33 BRANCH 32 36 ATOM 36 C LIG 1 -0.845 -3.497 -2.435 0.00 0.00 +0.322 C ATOM 37 O LIG 1 -0.319 -2.487 -2.873 0.00 0.00 -0.249 OA BRANCH 36 38 ATOM 38 OXT LIG 1 -0.574 -4.741 -2.915 0.00 0.00 -0.480 OA ATOM 39 HXT LIG 1 -1.107 -5.364 -2.359 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 23 30 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 15