REMARK Name = BDB005066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.612 1.020 -1.062 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.632 0.018 -1.067 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.586 0.186 -1.754 0.00 0.00 -0.025 A ATOM 4 C LIG 1 -1.588 -0.951 -1.758 0.00 0.00 +0.142 C ATOM 5 N LIG 1 -2.925 -0.578 -2.250 0.00 0.00 -0.310 N ATOM 6 C LIG 1 -2.908 0.325 -3.410 0.00 0.00 +0.111 C ATOM 7 C LIG 1 -2.113 1.612 -3.177 0.00 0.00 +0.054 C ATOM 8 C LIG 1 -0.810 1.376 -2.460 0.00 0.00 -0.041 A ATOM 9 C LIG 1 0.165 2.381 -2.446 0.00 0.00 +0.006 A ATOM 10 C LIG 1 1.367 2.203 -1.754 0.00 0.00 +0.023 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -3.842 -0.261 -1.229 0.00 0.00 +0.133 A ATOM 12 C LIG 1 -4.381 -1.279 -0.408 0.00 0.00 +0.041 A ATOM 13 C LIG 1 -5.234 -0.869 0.637 0.00 0.00 +0.088 A ATOM 14 C LIG 1 -5.762 -1.869 1.481 0.00 0.00 +0.063 A ATOM 15 C LIG 1 -5.473 -3.233 1.274 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -4.664 -3.630 0.223 0.00 0.00 +0.002 A ATOM 17 N LIG 1 -5.528 0.439 0.804 0.00 0.00 -0.235 NA ATOM 18 C LIG 1 -5.010 1.313 -0.065 0.00 0.00 +0.223 A ATOM 19 C LIG 1 -4.128 -2.660 -0.612 0.00 0.00 +0.013 A ATOM 20 N LIG 1 -4.195 1.025 -1.075 0.00 0.00 -0.220 NA BRANCH 14 21 ATOM 21 C LIG 1 -6.664 -1.575 2.639 0.00 0.00 +0.244 C ATOM 22 O LIG 1 -7.105 -2.469 3.354 0.00 0.00 -0.270 OA ATOM 23 N LIG 1 -6.994 -0.278 2.895 0.00 0.00 -0.325 N ATOM 24 H LIG 1 -7.611 -0.070 3.667 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 -6.644 0.474 2.308 0.00 0.00 +0.145 HD ENDBRANCH 14 21 ENDBRANCH 5 11 BRANCH 1 27 ATOM 26 C LIG 1 3.922 1.560 -0.259 0.00 0.00 +0.248 C ATOM 27 N LIG 1 2.793 0.764 -0.333 0.00 0.00 -0.281 N ATOM 28 H LIG 1 2.835 -0.133 0.132 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 4.135 2.597 -0.876 0.00 0.00 -0.270 OA BRANCH 26 33 ATOM 30 C LIG 1 7.067 0.110 2.286 0.00 0.00 +0.120 A ATOM 31 C LIG 1 7.362 0.768 1.092 0.00 0.00 +0.046 A ATOM 32 C LIG 1 6.327 1.239 0.275 0.00 0.00 +0.016 A ATOM 33 C LIG 1 4.991 1.044 0.642 0.00 0.00 +0.037 A ATOM 34 C LIG 1 4.693 0.401 1.848 0.00 0.00 +0.016 A ATOM 35 C LIG 1 5.731 -0.067 2.659 0.00 0.00 +0.046 A BRANCH 30 37 ATOM 36 C LIG 1 9.352 -0.201 2.865 0.00 0.00 +0.277 C ATOM 37 O LIG 1 7.977 -0.400 3.170 0.00 0.00 -0.495 OA ENDBRANCH 30 37 ENDBRANCH 26 33 ENDBRANCH 1 27 TORSDOF 5