REMARK Name = BDB054319 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.328 -1.766 0.422 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -0.262 -1.161 1.105 0.00 0.00 +0.049 A ATOM 3 C LIG 1 0.932 -0.838 0.450 0.00 0.00 +0.121 A ATOM 4 C LIG 1 1.064 -1.131 -0.906 0.00 0.00 +0.045 A ATOM 5 C LIG 1 0.015 -1.745 -1.594 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.171 -2.065 -0.934 0.00 0.00 +0.004 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.618 -2.091 1.136 0.00 0.00 +0.050 C BRANCH 7 10 ATOM 8 N LIG 1 -5.239 -0.083 1.233 0.00 0.00 -0.257 N ATOM 9 C LIG 1 -3.984 0.135 0.502 0.00 0.00 +0.202 C ATOM 10 C LIG 1 -3.321 -0.808 1.556 0.00 0.00 +0.111 C ATOM 11 C LIG 1 -4.748 -1.006 2.094 0.00 0.00 +0.226 C ATOM 12 O LIG 1 -5.239 -1.682 2.968 0.00 0.00 -0.275 OA BRANCH 8 16 ATOM 13 C LIG 1 -9.093 1.522 0.645 0.00 0.00 +0.120 A ATOM 14 C LIG 1 -8.861 0.579 1.647 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -7.584 0.042 1.843 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -6.515 0.442 1.038 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -6.750 1.393 0.039 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -8.031 1.928 -0.158 0.00 0.00 +0.047 A BRANCH 13 20 ATOM 19 C LIG 1 -10.685 2.878 -0.485 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -10.384 1.963 0.560 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 8 16 BRANCH 9 21 ATOM 21 C LIG 1 -3.994 -0.308 -1.003 0.00 0.00 +0.327 C ATOM 22 O LIG 1 -4.546 -1.301 -1.467 0.00 0.00 -0.249 OA BRANCH 21 23 ATOM 23 O LIG 1 -3.312 0.533 -1.833 0.00 0.00 -0.479 OA ATOM 24 H LIG 1 -2.823 1.244 -1.378 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 9 21 ENDBRANCH 7 10 ENDBRANCH 1 7 BRANCH 3 25 ATOM 25 O LIG 1 1.869 -0.247 1.250 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 3.157 0.048 0.701 0.00 0.00 +0.235 C BRANCH 26 27 ATOM 27 C LIG 1 4.069 -1.177 0.755 0.00 0.00 +0.100 C BRANCH 27 28 ATOM 28 C LIG 1 5.358 -0.950 0.055 0.00 0.00 +0.086 A ATOM 29 C LIG 1 5.931 -1.661 -0.978 0.00 0.00 +0.126 A ATOM 30 C LIG 1 5.546 -2.848 -1.762 0.00 0.00 +0.088 C ATOM 31 O LIG 1 7.121 -1.066 -1.286 0.00 0.00 -0.440 OA ATOM 32 C LIG 1 7.214 -0.013 -0.413 0.00 0.00 +0.228 A ATOM 33 N LIG 1 6.181 0.096 0.403 0.00 0.00 -0.214 NA BRANCH 32 34 ATOM 34 C LIG 1 8.406 0.824 -0.511 0.00 0.00 +0.037 A ATOM 35 C LIG 1 8.543 1.937 0.333 0.00 0.00 +0.013 A ATOM 36 C LIG 1 9.671 2.758 0.261 0.00 0.00 +0.001 A ATOM 37 C LIG 1 10.680 2.475 -0.657 0.00 0.00 +0.000 A ATOM 38 C LIG 1 10.562 1.373 -1.502 0.00 0.00 +0.001 A ATOM 39 C LIG 1 9.432 0.553 -1.429 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 11