REMARK Name = BDB010761 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.659 -1.706 0.111 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.396 -1.723 -0.477 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.142 -2.590 -1.529 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.162 -2.541 -1.919 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 -1.732 -1.649 -1.136 0.00 0.00 +0.123 A ATOM 6 N LIG 1 1.053 -3.403 -2.081 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 2.251 -3.300 -1.497 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.801 -1.054 -0.307 0.00 0.00 -0.323 N ATOM 9 N LIG 1 2.584 -2.511 -0.449 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.311 -1.405 -1.154 0.00 0.00 +0.054 C ATOM 11 C LIG 1 -4.012 -2.055 -2.411 0.00 0.00 +0.019 C ATOM 12 C LIG 1 -4.851 -0.769 -2.526 0.00 0.00 +0.003 C ATOM 13 C LIG 1 -3.695 -0.038 -1.819 0.00 0.00 +0.019 C BRANCH 10 14 ATOM 14 C LIG 1 -3.945 -1.832 0.271 0.00 0.00 -0.034 A ATOM 15 C LIG 1 -3.762 -3.139 0.778 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -4.284 -3.546 2.008 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -5.020 -2.654 2.777 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.233 -1.361 2.313 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -4.705 -0.962 1.080 0.00 0.00 +0.004 A ENDBRANCH 10 14 ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 1.993 -0.963 1.224 0.00 0.00 -0.324 N ATOM 21 H LIG 1 1.325 -0.301 1.579 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 3.557 -0.776 3.050 0.00 0.00 +0.028 C ATOM 23 C LIG 1 3.393 -0.678 1.530 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 3.760 0.743 1.068 0.00 0.00 +0.009 C ATOM 25 C LIG 1 3.806 1.018 -0.464 0.00 0.00 +0.005 C ATOM 26 C LIG 1 5.317 0.736 -0.415 0.00 0.00 +0.001 C ATOM 27 C LIG 1 5.273 1.106 1.079 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 3.340 -4.165 -2.076 0.00 0.00 +0.375 C ATOM 29 O LIG 1 3.239 -4.956 -3.000 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 4.540 -4.001 -1.468 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 5.125 -4.623 -1.947 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 -1.049 0.060 0.589 0.00 0.00 +0.127 C BRANCH 32 33 ATOM 33 C LIG 1 -0.297 1.354 0.212 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -0.352 2.350 1.380 0.00 0.00 +0.005 C ATOM 35 C LIG 1 0.373 3.653 1.047 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -0.172 4.294 -0.235 0.00 0.00 -0.014 C ATOM 37 C LIG 1 0.608 5.563 -0.576 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -0.126 3.301 -1.402 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -0.854 2.000 -1.065 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 9