REMARK Name = BDB024879 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.485 -1.745 0.204 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.388 -1.692 -0.675 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.662 -2.055 -2.083 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.928 -3.564 -2.229 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.554 -1.674 -3.075 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.984 -0.314 -2.736 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.413 -0.396 -1.347 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.203 0.247 -0.999 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.368 0.991 -1.793 0.00 0.00 -0.228 NA ATOM 10 C LIG 1 -0.611 1.385 -1.012 0.00 0.00 +0.155 A ATOM 11 N LIG 1 -0.440 0.937 0.281 0.00 0.00 -0.321 N ATOM 12 C LIG 1 0.708 0.168 0.300 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.355 -0.579 1.287 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.561 -1.205 0.935 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.121 -1.097 -0.346 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.591 -2.183 -0.117 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.310 1.250 1.411 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.103 0.024 1.902 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.555 0.141 3.367 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.818 1.600 3.757 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.572 2.479 3.609 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.583 1.965 2.559 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.782 -0.716 3.612 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.873 -0.346 4.008 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.546 -2.022 3.375 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.403 -2.462 3.558 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 -1.810 2.275 -1.553 0.00 0.00 +0.168 C ATOM 28 C LIG 1 -1.657 2.922 -2.916 0.00 0.00 +0.060 C ATOM 29 C LIG 1 -1.472 3.752 -1.684 0.00 0.00 +0.060 C BRANCH 27 30 ATOM 30 O LIG 1 -3.178 2.058 -1.125 0.00 0.00 -0.478 OA BRANCH 30 31 ATOM 31 C LIG 1 -3.845 0.954 -1.591 0.00 0.00 +0.122 A ATOM 32 C LIG 1 -5.201 0.908 -1.247 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -5.998 -0.166 -1.645 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -5.440 -1.203 -2.388 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.086 -1.165 -2.730 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -3.288 -0.087 -2.336 0.00 0.00 +0.046 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 10 27 BRANCH 1 38 ATOM 37 C LIG 1 6.380 -1.216 2.317 0.00 0.00 +0.282 C ATOM 38 O LIG 1 5.253 -1.214 1.439 0.00 0.00 -0.453 OA ENDBRANCH 1 38 TORSDOF 7