REMARK Name = BDB005149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.337 2.674 0.275 0.00 0.00 +0.066 A ATOM 2 C LIG 1 -4.226 2.730 -0.592 0.00 0.00 +0.088 A ATOM 3 C LIG 1 -3.241 1.736 -0.445 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -2.123 1.819 -1.302 0.00 0.00 +0.130 A ATOM 5 N LIG 1 -2.016 2.767 -2.245 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 -3.003 3.657 -2.313 0.00 0.00 +0.223 A ATOM 7 C LIG 1 -3.406 0.709 0.517 0.00 0.00 +0.059 A ATOM 8 C LIG 1 -4.523 0.653 1.340 0.00 0.00 +0.122 A ATOM 9 N LIG 1 -4.090 3.692 -1.533 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -5.470 1.657 1.240 0.00 0.00 +0.060 A ENDROOT BRANCH 1 14 ATOM 11 N LIG 1 -6.352 4.733 -0.607 0.00 0.00 -0.325 N ATOM 12 H LIG 1 -7.131 5.370 -0.685 0.00 0.00 +0.145 HD ATOM 13 H LIG 1 -5.581 4.796 -1.266 0.00 0.00 +0.145 HD ATOM 14 C LIG 1 -6.454 3.670 0.241 0.00 0.00 +0.244 C ATOM 15 O LIG 1 -7.446 3.550 0.953 0.00 0.00 -0.270 OA ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 N LIG 1 -1.094 0.861 -1.193 0.00 0.00 -0.324 N ATOM 17 H LIG 1 -0.770 0.829 -0.229 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 0.029 1.050 -2.102 0.00 0.00 +0.138 C BRANCH 18 19 ATOM 19 C LIG 1 1.059 -0.021 -1.820 0.00 0.00 -0.029 A ATOM 20 C LIG 1 2.236 0.289 -1.117 0.00 0.00 +0.028 A ATOM 21 C LIG 1 3.182 -0.698 -0.829 0.00 0.00 +0.034 A ATOM 22 C LIG 1 2.942 -2.010 -1.256 0.00 0.00 +0.023 A ATOM 23 C LIG 1 1.773 -2.333 -1.948 0.00 0.00 +0.002 A ATOM 24 C LIG 1 0.834 -1.343 -2.226 0.00 0.00 +0.005 A BRANCH 21 25 ATOM 25 N LIG 1 4.387 -0.456 -0.136 0.00 0.00 -0.281 N ATOM 26 H LIG 1 4.977 -1.265 0.005 0.00 0.00 +0.155 HD ATOM 27 C LIG 1 4.796 0.730 0.446 0.00 0.00 +0.248 C ATOM 28 O LIG 1 4.151 1.768 0.537 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 6.151 0.694 1.056 0.00 0.00 +0.042 A ATOM 30 C LIG 1 7.201 -0.021 0.469 0.00 0.00 +0.056 A ATOM 31 C LIG 1 8.451 -0.030 1.076 0.00 0.00 +0.122 A ATOM 32 N LIG 1 8.649 0.650 2.228 0.00 0.00 -0.240 NA ATOM 33 C LIG 1 7.633 1.359 2.766 0.00 0.00 +0.113 A ATOM 34 C LIG 1 6.372 1.417 2.221 0.00 0.00 +0.033 A BRANCH 31 35 ATOM 35 N LIG 1 9.507 -0.727 0.553 0.00 0.00 -0.315 N ATOM 36 C LIG 1 10.837 -0.603 1.143 0.00 0.00 +0.106 C ATOM 37 C LIG 1 11.771 -1.120 0.048 0.00 0.00 +0.020 C ATOM 38 C LIG 1 10.904 -2.105 -0.719 0.00 0.00 +0.020 C ATOM 39 C LIG 1 9.537 -1.425 -0.720 0.00 0.00 +0.106 C ENDBRANCH 31 35 ENDBRANCH 27 29 ENDBRANCH 21 25 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 4 16 BRANCH 8 40 ATOM 40 O LIG 1 -4.560 -0.391 2.216 0.00 0.00 -0.491 OA BRANCH 40 41 ATOM 41 C LIG 1 -5.848 -0.916 2.567 0.00 0.00 +0.244 C BRANCH 41 42 ATOM 42 C LIG 1 -6.423 -1.848 1.477 0.00 0.00 +0.125 C BRANCH 42 43 ATOM 43 N LIG 1 -7.005 -1.150 0.313 0.00 0.00 -0.295 NA ATOM 44 C LIG 1 -8.317 -0.524 0.598 0.00 0.00 +0.112 C ATOM 45 C LIG 1 -9.487 -1.521 0.691 0.00 0.00 +0.175 C ATOM 46 O LIG 1 -9.576 -2.346 -0.477 0.00 0.00 -0.377 OA ATOM 47 C LIG 1 -8.342 -3.038 -0.706 0.00 0.00 +0.175 C ATOM 48 C LIG 1 -7.169 -2.055 -0.846 0.00 0.00 +0.112 C ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 8 40 TORSDOF 11