REMARK Name = BDB056101 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.811 -0.489 -3.762 0.00 0.00 +0.133 A ATOM 2 C LIG 1 -0.420 -0.267 -3.131 0.00 0.00 +0.080 A ATOM 3 C LIG 1 -1.430 0.284 -3.902 0.00 0.00 +0.233 A ATOM 4 O LIG 1 -2.555 0.439 -3.152 0.00 0.00 -0.437 OA ATOM 5 C LIG 1 -2.280 -0.005 -1.889 0.00 0.00 +0.138 A ATOM 6 N LIG 1 -1.365 0.634 -5.193 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -0.150 0.389 -5.696 0.00 0.00 +0.227 A ATOM 8 C LIG 1 -0.973 -0.449 -1.833 0.00 0.00 +0.063 A ATOM 9 N LIG 1 0.917 -0.141 -5.067 0.00 0.00 -0.220 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.372 0.084 -0.921 0.00 0.00 +0.018 A ATOM 11 C LIG 1 -4.609 0.646 -1.267 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -5.655 0.735 -0.338 0.00 0.00 +0.046 A ATOM 13 C LIG 1 -5.482 0.260 0.959 0.00 0.00 +0.121 A ATOM 14 C LIG 1 -4.255 -0.304 1.313 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -3.210 -0.391 0.386 0.00 0.00 +0.015 A BRANCH 13 16 ATOM 16 O LIG 1 -6.408 0.273 1.962 0.00 0.00 -0.491 OA BRANCH 16 17 ATOM 17 C LIG 1 -7.676 0.890 1.724 0.00 0.00 +0.244 C BRANCH 17 18 ATOM 18 C LIG 1 -8.674 -0.052 1.018 0.00 0.00 +0.125 C BRANCH 18 19 ATOM 19 N LIG 1 -9.471 -0.888 1.938 0.00 0.00 -0.295 NA ATOM 20 C LIG 1 -10.629 -1.475 1.223 0.00 0.00 +0.112 C ATOM 21 C LIG 1 -11.159 -2.736 1.921 0.00 0.00 +0.175 C ATOM 22 O LIG 1 -10.198 -3.801 1.932 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 -8.842 -3.334 1.944 0.00 0.00 +0.175 C ATOM 24 C LIG 1 -8.684 -1.952 2.600 0.00 0.00 +0.112 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 25 ATOM 25 N LIG 1 1.897 -1.026 -3.082 0.00 0.00 -0.328 N ATOM 26 H LIG 1 1.648 -1.562 -2.260 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 3.006 -1.566 -3.863 0.00 0.00 +0.107 C BRANCH 27 28 ATOM 28 C LIG 1 4.030 -0.489 -4.247 0.00 0.00 +0.054 C BRANCH 28 32 ATOM 29 C LIG 1 6.234 1.023 -0.834 0.00 0.00 +0.035 A ATOM 30 C LIG 1 5.047 1.639 -1.249 0.00 0.00 +0.023 A ATOM 31 C LIG 1 4.338 1.154 -2.352 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.804 0.043 -3.062 0.00 0.00 -0.046 A ATOM 33 C LIG 1 5.984 -0.579 -2.640 0.00 0.00 +0.005 A ATOM 34 C LIG 1 6.692 -0.092 -1.534 0.00 0.00 +0.023 A BRANCH 29 37 ATOM 35 O LIG 1 8.903 0.431 0.294 0.00 0.00 -0.252 OA ATOM 36 C LIG 1 8.125 1.223 0.809 0.00 0.00 +0.308 C ATOM 37 N LIG 1 6.882 1.569 0.295 0.00 0.00 -0.269 N ATOM 38 H LIG 1 6.456 2.394 0.687 0.00 0.00 +0.156 HD ATOM 39 N LIG 1 8.353 1.908 1.995 0.00 0.00 -0.269 N ATOM 40 H LIG 1 7.545 2.333 2.421 0.00 0.00 +0.156 HD BRANCH 39 41 ATOM 41 C LIG 1 9.532 1.917 2.771 0.00 0.00 +0.035 A ATOM 42 C LIG 1 9.471 2.551 4.019 0.00 0.00 +0.023 A ATOM 43 C LIG 1 10.598 2.612 4.845 0.00 0.00 +0.002 A ATOM 44 C LIG 1 11.797 2.044 4.427 0.00 0.00 +0.000 A ATOM 45 C LIG 1 11.870 1.419 3.184 0.00 0.00 +0.002 A ATOM 46 C LIG 1 10.742 1.357 2.359 0.00 0.00 +0.023 A ENDBRANCH 39 41 ENDBRANCH 29 37 ENDBRANCH 28 32 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 11