REMARK Name = BDB058735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.331 1.608 -0.482 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.685 2.294 -0.547 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -3.691 2.391 0.485 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -4.755 3.128 -0.036 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -5.917 3.421 0.691 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -5.996 2.946 2.001 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -4.958 2.214 2.563 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -7.406 3.277 2.933 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -4.418 3.474 -1.317 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -4.993 4.022 -1.944 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -3.804 1.934 1.819 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -3.191 2.965 -1.665 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 -2.616 3.147 -2.971 0.00 0.00 +0.354 C ATOM 14 O LIG 1 -1.591 2.663 -3.421 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 -3.393 3.949 -3.729 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 -2.900 4.005 -4.574 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -1.887 -0.763 -0.088 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -2.154 -0.724 -1.065 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -1.293 0.368 0.452 0.00 0.00 +0.239 C ATOM 20 O LIG 1 -0.812 0.399 1.583 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -2.662 -2.022 1.906 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -1.922 -2.082 0.560 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -2.690 -3.045 -0.365 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -0.500 -2.629 0.758 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 -0.270 2.580 -0.185 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -0.267 3.321 0.978 0.00 0.00 +0.329 C ATOM 27 O LIG 1 0.608 4.109 1.319 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 0.904 2.614 -1.050 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 1.614 1.282 -1.118 0.00 0.00 -0.030 A ATOM 30 C LIG 1 1.641 0.544 -2.307 0.00 0.00 +0.009 A ATOM 31 C LIG 1 2.261 -0.707 -2.345 0.00 0.00 +0.046 A ATOM 32 C LIG 1 2.855 -1.244 -1.200 0.00 0.00 +0.121 A ATOM 33 C LIG 1 2.854 -0.502 -0.021 0.00 0.00 +0.046 A ATOM 34 C LIG 1 2.236 0.752 0.020 0.00 0.00 +0.009 A BRANCH 32 35 ATOM 35 O LIG 1 3.414 -2.480 -1.373 0.00 0.00 -0.487 OA BRANCH 35 36 ATOM 36 C LIG 1 3.722 -3.245 -0.203 0.00 0.00 +0.264 C BRANCH 36 37 ATOM 37 C LIG 1 5.112 -2.988 0.334 0.00 0.00 -0.010 A ATOM 38 C LIG 1 5.370 -3.139 1.705 0.00 0.00 +0.007 A ATOM 39 C LIG 1 6.653 -2.934 2.214 0.00 0.00 +0.000 A ATOM 40 C LIG 1 7.696 -2.585 1.357 0.00 0.00 +0.000 A ATOM 41 C LIG 1 7.457 -2.446 -0.008 0.00 0.00 +0.000 A ATOM 42 C LIG 1 6.174 -2.652 -0.518 0.00 0.00 +0.007 A ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 11