REMARK Name = BDB053988 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.364 -1.902 -0.951 0.00 0.00 +0.217 C ATOM 2 N LIG 1 -4.789 -0.670 -0.647 0.00 0.00 -0.283 N ATOM 3 C LIG 1 -5.556 0.514 -0.207 0.00 0.00 +0.189 C ATOM 4 C LIG 1 -4.729 1.373 0.756 0.00 0.00 +0.069 C ATOM 5 C LIG 1 -3.365 1.687 0.204 0.00 0.00 -0.040 A ATOM 6 C LIG 1 -2.766 0.815 -0.714 0.00 0.00 -0.023 A ATOM 7 C LIG 1 -1.482 1.116 -1.199 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -0.792 2.255 -0.775 0.00 0.00 +0.121 A ATOM 9 C LIG 1 -1.391 3.106 0.148 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -2.669 2.822 0.639 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -3.459 -0.433 -1.206 0.00 0.00 +0.144 C ATOM 12 O LIG 1 -4.728 -2.788 -1.523 0.00 0.00 -0.276 OA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -6.103 1.379 -1.354 0.00 0.00 +0.326 C ATOM 14 O LIG 1 -6.667 2.456 -1.226 0.00 0.00 -0.249 OA BRANCH 13 15 ATOM 15 O LIG 1 -5.987 0.829 -2.579 0.00 0.00 -0.479 OA ATOM 16 H LIG 1 -6.378 1.492 -3.187 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 3 13 BRANCH 1 17 ATOM 17 C LIG 1 -6.808 -2.118 -0.524 0.00 0.00 +0.096 C BRANCH 17 18 ATOM 18 C LIG 1 -7.318 -3.515 -0.888 0.00 0.00 +0.013 C BRANCH 18 19 ATOM 19 C LIG 1 -8.800 -3.713 -0.560 0.00 0.00 +0.027 C BRANCH 19 21 ATOM 20 C LIG 1 -9.908 -2.756 1.480 0.00 0.00 +0.004 C ATOM 21 C LIG 1 -9.088 -3.649 0.913 0.00 0.00 -0.034 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 8 22 ATOM 22 O LIG 1 0.448 2.398 -1.331 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 1.249 3.528 -0.972 0.00 0.00 +0.235 C BRANCH 23 24 ATOM 24 C LIG 1 2.018 3.293 0.329 0.00 0.00 +0.100 C BRANCH 24 25 ATOM 25 C LIG 1 3.128 2.317 0.165 0.00 0.00 +0.086 A ATOM 26 C LIG 1 3.108 0.944 0.203 0.00 0.00 +0.126 A ATOM 27 C LIG 1 2.067 -0.080 0.396 0.00 0.00 +0.088 C ATOM 28 O LIG 1 4.381 0.504 -0.006 0.00 0.00 -0.441 OA ATOM 29 C LIG 1 5.149 1.645 -0.164 0.00 0.00 +0.220 A ATOM 30 N LIG 1 4.416 2.746 -0.063 0.00 0.00 -0.214 NA BRANCH 29 31 ATOM 31 C LIG 1 6.552 1.621 -0.402 0.00 0.00 +0.063 C ATOM 32 C LIG 1 7.241 0.472 -0.499 0.00 0.00 -0.022 C BRANCH 32 33 ATOM 33 C LIG 1 8.715 0.408 -0.763 0.00 0.00 +0.027 C BRANCH 33 34 ATOM 34 C LIG 1 9.583 0.160 0.477 0.00 0.00 +0.007 C BRANCH 34 35 ATOM 35 C LIG 1 9.471 -1.201 1.195 0.00 0.00 -0.017 C ATOM 36 C LIG 1 9.533 -2.390 0.239 0.00 0.00 +0.007 C ATOM 37 C LIG 1 8.252 -1.305 2.111 0.00 0.00 +0.007 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 8 22 TORSDOF 14