REMARK Name = BDB027124 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.127 -0.624 0.367 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -1.202 0.403 1.051 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 4.203 0.045 0.352 0.00 0.00 +0.039 A ATOM 4 C LIG 1 3.783 -0.937 -0.554 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.408 -1.191 -0.637 0.00 0.00 +0.048 A ATOM 6 C LIG 1 1.464 -0.525 0.148 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.166 -1.038 -0.202 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.377 -1.984 -1.191 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.925 0.435 1.077 0.00 0.00 +0.011 A ATOM 10 N LIG 1 1.722 -2.080 -1.427 0.00 0.00 -0.360 N ATOM 11 H LIG 1 2.157 -2.711 -2.088 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 3.295 0.705 1.179 0.00 0.00 +0.014 A BRANCH 3 14 ATOM 13 N LIG 1 6.144 1.594 0.215 0.00 0.00 -0.298 N ATOM 14 C LIG 1 5.654 0.309 0.474 0.00 0.00 +0.247 C ATOM 15 O LIG 1 6.369 -0.637 0.799 0.00 0.00 -0.270 OA BRANCH 13 17 ATOM 16 C LIG 1 8.433 1.427 -0.765 0.00 0.00 +0.024 C ATOM 17 C LIG 1 7.575 1.815 0.428 0.00 0.00 +0.104 C ENDBRANCH 13 17 BRANCH 13 18 ATOM 18 C LIG 1 5.387 2.642 -0.481 0.00 0.00 +0.104 C ATOM 19 C LIG 1 5.240 2.394 -1.975 0.00 0.00 +0.024 C ENDBRANCH 13 18 ENDBRANCH 3 14 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 -2.412 -1.447 0.037 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 -2.322 -2.890 0.511 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -1.999 -3.193 1.844 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -1.919 -4.519 2.272 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.171 -5.558 1.378 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.511 -5.272 0.057 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -2.592 -3.947 -0.374 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -3.588 -0.779 0.654 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 -3.395 0.226 0.681 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.832 -1.034 -0.073 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -6.023 -0.302 0.568 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -5.962 1.201 0.412 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -5.444 2.000 1.440 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.367 3.387 1.290 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.808 3.990 0.108 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -6.324 3.198 -0.922 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -6.399 1.811 -0.772 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -5.729 5.412 -0.048 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -5.668 6.564 -0.181 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 11