REMARK Name = BDB021602 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.709 3.706 0.430 0.00 0.00 +0.057 C ATOM 2 C LIG 1 -0.627 2.166 0.458 0.00 0.00 +0.122 C ATOM 3 O LIG 1 -1.940 1.757 0.827 0.00 0.00 -0.468 OA ATOM 4 C LIG 1 -2.417 0.507 0.648 0.00 0.00 +0.228 A ATOM 5 C LIG 1 -1.795 -0.616 0.121 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -2.542 -1.811 0.101 0.00 0.00 +0.020 A ATOM 7 C LIG 1 -3.851 -1.854 0.568 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -4.408 -0.687 1.056 0.00 0.00 +0.059 A ATOM 9 C LIG 1 -0.421 -0.742 -0.429 0.00 0.00 +0.252 C ATOM 10 O LIG 1 0.112 -1.854 -0.394 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 0.225 0.334 -1.020 0.00 0.00 -0.291 N ATOM 12 N LIG 1 -3.701 0.469 1.100 0.00 0.00 -0.216 NA ATOM 13 C LIG 1 -0.268 1.699 -0.961 0.00 0.00 +0.155 C ATOM 14 C LIG 1 0.364 1.777 1.562 0.00 0.00 +0.057 C ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 -5.839 -0.657 1.567 0.00 0.00 +0.140 C BRANCH 15 16 ATOM 16 N LIG 1 -6.845 -0.295 0.549 0.00 0.00 -0.297 NA ATOM 17 C LIG 1 -6.997 -1.320 -0.494 0.00 0.00 +0.085 C ATOM 18 C LIG 1 -8.360 -1.297 -1.201 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -8.929 0.112 -1.267 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -9.046 0.720 0.132 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -8.126 0.053 1.163 0.00 0.00 +0.085 C ENDBRANCH 15 16 ENDBRANCH 8 15 BRANCH 11 22 ATOM 22 C LIG 1 1.506 0.090 -1.704 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 2.733 0.356 -0.805 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 2.912 1.782 -0.710 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 3.335 2.085 -1.530 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 3.998 -0.318 -1.400 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 5.140 -0.482 -0.475 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 6.217 -1.234 -1.153 0.00 0.00 +0.120 C ATOM 29 C LIG 1 7.500 -1.351 -0.360 0.00 0.00 -0.030 A ATOM 30 C LIG 1 7.775 -0.472 0.700 0.00 0.00 -0.042 A ATOM 31 C LIG 1 8.986 -0.578 1.398 0.00 0.00 +0.004 A ATOM 32 C LIG 1 9.930 -1.536 1.030 0.00 0.00 +0.000 A ATOM 33 C LIG 1 9.669 -2.397 -0.033 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.739 0.533 1.125 0.00 0.00 +0.051 C ATOM 35 C LIG 1 8.461 -2.304 -0.726 0.00 0.00 +0.005 A ATOM 36 C LIG 1 5.668 0.783 0.052 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 11 22 TORSDOF 7