REMARK Name = BDB008033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.465 0.402 -0.768 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.970 -0.988 -0.381 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.020 -1.339 0.554 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -2.075 -2.732 0.626 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -2.962 -3.429 1.458 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -3.843 -2.678 2.236 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.842 -1.291 2.184 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -4.959 -3.489 3.268 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -1.139 -3.215 -0.246 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -0.967 -4.197 -0.425 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -2.939 -0.617 1.350 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -0.561 -2.196 -0.962 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 0.302 -2.497 -2.072 0.00 0.00 +0.354 C ATOM 14 O LIG 1 0.830 -3.570 -2.316 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 0.416 -1.454 -2.911 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 1.032 -1.769 -3.604 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 C LIG 1 1.063 0.521 -1.038 0.00 0.00 +0.238 C ATOM 18 N LIG 1 1.883 -0.200 -0.184 0.00 0.00 -0.311 N ATOM 19 H LIG 1 1.448 -0.388 0.724 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 1.510 1.306 -1.879 0.00 0.00 -0.273 OA BRANCH 18 21 ATOM 21 C LIG 1 3.329 -0.043 -0.195 0.00 0.00 +0.073 C ATOM 22 C LIG 1 3.949 -0.716 1.032 0.00 0.00 +0.022 C ATOM 23 C LIG 1 5.458 -0.480 1.115 0.00 0.00 +0.002 C ATOM 24 C LIG 1 6.128 -0.322 -0.250 0.00 0.00 +0.000 C ATOM 25 C LIG 1 5.386 -1.091 -1.333 0.00 0.00 +0.002 C ATOM 26 C LIG 1 3.944 -0.602 -1.493 0.00 0.00 +0.022 C ENDBRANCH 18 21 ENDBRANCH 1 17 BRANCH 1 29 ATOM 27 O LIG 1 0.357 0.525 1.977 0.00 0.00 -0.279 OA ATOM 28 C LIG 1 -0.323 1.420 1.491 0.00 0.00 +0.329 C ATOM 29 N LIG 1 -0.794 1.468 0.193 0.00 0.00 -0.284 N BRANCH 29 30 ATOM 30 C LIG 1 -1.263 2.739 -0.345 0.00 0.00 +0.143 C BRANCH 30 31 ATOM 31 C LIG 1 -2.762 2.870 -0.240 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -3.597 2.286 -1.204 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.985 2.375 -1.087 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.553 3.048 -0.007 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.735 3.632 0.957 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.347 3.542 0.844 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 8