REMARK Name = BDB058318 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.136 3.250 -0.619 0.00 0.00 +0.113 A ATOM 2 N LIG 1 -0.899 2.392 0.427 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -1.761 1.332 0.652 0.00 0.00 +0.258 A ATOM 4 O LIG 1 -1.744 0.633 1.666 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -2.769 1.059 -0.403 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -2.874 1.958 -1.396 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -3.818 1.813 -2.563 0.00 0.00 +0.066 C ATOM 8 N LIG 1 -2.094 3.080 -1.475 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 -0.273 4.486 -0.837 0.00 0.00 +0.074 C BRANCH 9 10 ATOM 10 C LIG 1 -1.007 5.797 -0.538 0.00 0.00 +0.007 C BRANCH 10 12 ATOM 11 C LIG 1 -2.394 5.465 1.583 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -1.179 6.123 0.948 0.00 0.00 -0.003 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 2 13 ATOM 13 C LIG 1 0.178 2.542 1.403 0.00 0.00 +0.161 C BRANCH 13 14 ATOM 14 C LIG 1 1.304 1.555 1.165 0.00 0.00 -0.028 A ATOM 15 C LIG 1 2.072 1.597 -0.005 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.086 0.660 -0.223 0.00 0.00 +0.009 A ATOM 17 C LIG 1 3.359 -0.344 0.719 0.00 0.00 -0.017 A ATOM 18 C LIG 1 2.595 -0.376 1.894 0.00 0.00 +0.009 A ATOM 19 C LIG 1 1.580 0.560 2.113 0.00 0.00 +0.006 A BRANCH 17 20 ATOM 20 C LIG 1 4.424 -1.329 0.485 0.00 0.00 -0.007 A ATOM 21 C LIG 1 4.363 -2.298 -0.533 0.00 0.00 +0.028 A ATOM 22 C LIG 1 5.408 -3.209 -0.742 0.00 0.00 +0.012 A ATOM 23 C LIG 1 6.533 -3.172 0.078 0.00 0.00 +0.001 A ATOM 24 C LIG 1 6.613 -2.228 1.099 0.00 0.00 +0.001 A ATOM 25 C LIG 1 5.572 -1.315 1.299 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 3.190 -2.436 -1.392 0.00 0.00 +0.183 A ATOM 27 N LIG 1 2.180 -3.223 -1.001 0.00 0.00 -0.271 N ATOM 28 H LIG 1 2.100 -3.791 -0.174 0.00 0.00 +0.174 HD ATOM 29 C LIG 1 1.310 -3.247 -2.023 0.00 0.00 +0.440 A ATOM 30 O LIG 1 0.317 -3.956 -2.093 0.00 0.00 -0.221 OA ATOM 31 O LIG 1 1.762 -2.395 -3.006 0.00 0.00 -0.295 OA ATOM 32 N LIG 1 3.035 -1.904 -2.558 0.00 0.00 -0.054 NA ENDBRANCH 21 26 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 2 13 BRANCH 5 33 ATOM 33 C LIG 1 -3.538 -0.220 -0.233 0.00 0.00 +0.163 C BRANCH 33 34 ATOM 34 C LIG 1 -2.650 -1.403 -0.570 0.00 0.00 +0.312 C ATOM 35 O LIG 1 -1.544 -1.342 -1.094 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -3.297 -2.559 -0.237 0.00 0.00 -0.464 OA BRANCH 36 37 ATOM 37 C LIG 1 -2.553 -3.742 -0.551 0.00 0.00 +0.235 C BRANCH 37 38 ATOM 38 C LIG 1 -3.335 -4.921 -0.060 0.00 0.00 +0.027 C ATOM 39 C LIG 1 -3.289 -5.314 1.393 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -2.630 -6.184 0.359 0.00 0.00 +0.007 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 12