REMARK Name = BDB004732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.808 0.785 -2.479 0.00 0.00 +0.116 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.591 1.470 -1.866 0.00 0.00 -0.024 A ATOM 3 C LIG 1 -0.341 0.835 -1.750 0.00 0.00 +0.028 A ATOM 4 C LIG 1 0.762 1.496 -1.199 0.00 0.00 +0.034 A ATOM 5 C LIG 1 0.612 2.813 -0.751 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.616 3.464 -0.864 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -1.706 2.799 -1.420 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 2.034 0.905 -1.046 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.733 1.486 -0.602 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 2.451 -0.325 -1.523 0.00 0.00 +0.248 C ATOM 11 O LIG 1 1.826 -1.086 -2.252 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 3.834 -0.705 -1.134 0.00 0.00 +0.042 A ATOM 13 C LIG 1 4.334 -0.424 0.141 0.00 0.00 +0.056 A ATOM 14 C LIG 1 5.635 -0.796 0.469 0.00 0.00 +0.122 A ATOM 15 N LIG 1 6.398 -1.450 -0.437 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 5.888 -1.738 -1.654 0.00 0.00 +0.113 A ATOM 17 C LIG 1 4.618 -1.391 -2.051 0.00 0.00 +0.033 A BRANCH 14 18 ATOM 18 N LIG 1 6.162 -0.550 1.731 0.00 0.00 -0.315 N ATOM 19 C LIG 1 5.766 0.643 2.482 0.00 0.00 +0.106 C ATOM 20 C LIG 1 6.971 1.314 3.138 0.00 0.00 +0.019 C ATOM 21 C LIG 1 7.751 0.359 4.037 0.00 0.00 +0.003 C ATOM 22 C LIG 1 7.755 -1.076 3.514 0.00 0.00 +0.019 C ATOM 23 C LIG 1 7.472 -1.145 2.014 0.00 0.00 +0.106 C ENDBRANCH 14 18 ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 24 ATOM 24 N LIG 1 -4.024 0.888 -1.638 0.00 0.00 -0.320 N ATOM 25 H LIG 1 -4.767 0.410 -2.154 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.017 0.299 -0.353 0.00 0.00 +0.130 A ATOM 27 C LIG 1 -5.178 0.390 0.445 0.00 0.00 +0.041 A ATOM 28 C LIG 1 -5.127 -0.225 1.712 0.00 0.00 +0.088 A ATOM 29 C LIG 1 -6.283 -0.149 2.518 0.00 0.00 +0.063 A ATOM 30 C LIG 1 -7.443 0.519 2.079 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -7.477 1.130 0.836 0.00 0.00 +0.002 A ATOM 32 N LIG 1 -4.004 -0.856 2.121 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 -2.957 -0.867 1.288 0.00 0.00 +0.223 A ATOM 34 C LIG 1 -6.351 1.068 0.027 0.00 0.00 +0.013 A ATOM 35 N LIG 1 -2.913 -0.325 0.075 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 -6.373 -0.761 3.882 0.00 0.00 +0.244 C ATOM 37 O LIG 1 -7.408 -0.715 4.540 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 -5.270 -1.378 4.393 0.00 0.00 -0.325 N ATOM 39 H LIG 1 -5.331 -1.827 5.295 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 -4.419 -1.457 3.843 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 1 24 BRANCH 1 41 ATOM 41 C LIG 1 -2.651 -0.672 -3.029 0.00 0.00 +0.110 C BRANCH 41 43 ATOM 42 C LIG 1 -4.197 -0.632 -4.921 0.00 0.00 +0.104 C ATOM 43 N LIG 1 -3.914 -1.221 -3.608 0.00 0.00 -0.306 NA ATOM 44 C LIG 1 -3.795 -2.677 -3.742 0.00 0.00 +0.104 C ENDBRANCH 41 43 ENDBRANCH 1 41 TORSDOF 9