REMARK Name = BDB010711 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.601 1.088 -0.251 0.00 0.00 -0.305 N ATOM 2 C LIG 1 0.751 1.180 0.025 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.850 2.334 0.790 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.978 2.771 1.371 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 3.012 1.955 1.137 0.00 0.00 +0.203 A ATOM 6 N LIG 1 3.028 0.838 0.390 0.00 0.00 -0.208 NA ATOM 7 N LIG 1 -0.336 2.991 0.879 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 1.898 0.428 -0.220 0.00 0.00 +0.149 A ATOM 9 C LIG 1 -1.187 2.270 0.190 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 4.289 2.361 1.764 0.00 0.00 +0.220 A ATOM 11 N LIG 1 4.324 3.471 2.520 0.00 0.00 -0.269 N ATOM 12 H LIG 1 3.559 4.093 2.724 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 5.583 3.605 2.957 0.00 0.00 +0.440 A ATOM 14 O LIG 1 6.003 4.500 3.672 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 6.327 2.562 2.462 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 5.433 1.763 1.678 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 N LIG 1 -2.499 2.565 -0.025 0.00 0.00 -0.294 N ATOM 18 C LIG 1 -2.935 2.919 -1.410 0.00 0.00 +0.099 C ATOM 19 C LIG 1 -1.906 3.763 -2.175 0.00 0.00 +0.030 C ATOM 20 C LIG 1 -4.297 3.651 -1.362 0.00 0.00 +0.182 C ATOM 21 O LIG 1 -4.268 4.871 -0.610 0.00 0.00 -0.376 OA ATOM 22 C LIG 1 -3.447 4.795 0.569 0.00 0.00 +0.179 C ATOM 23 C LIG 1 -3.162 3.364 1.036 0.00 0.00 +0.136 C ENDBRANCH 9 17 BRANCH 1 25 ATOM 24 C LIG 1 -1.210 -0.308 -2.213 0.00 0.00 +0.031 C ATOM 25 C LIG 1 -1.367 -0.081 -0.704 0.00 0.00 +0.091 C BRANCH 25 26 ATOM 26 C LIG 1 -1.159 -1.363 0.163 0.00 0.00 +0.012 C ATOM 27 C LIG 1 -1.932 -2.569 -0.421 0.00 0.00 +0.006 C ATOM 28 C LIG 1 -2.185 -3.641 0.632 0.00 0.00 +0.003 C ATOM 29 C LIG 1 -3.105 -3.118 1.748 0.00 0.00 -0.014 C ATOM 30 C LIG 1 -2.898 -3.932 3.026 0.00 0.00 +0.007 C ATOM 31 C LIG 1 -2.919 -1.612 2.002 0.00 0.00 +0.003 C ATOM 32 C LIG 1 -1.509 -1.141 1.656 0.00 0.00 +0.006 C ENDBRANCH 25 26 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 N LIG 1 1.922 -0.675 -1.061 0.00 0.00 -0.324 N ATOM 34 H LIG 1 1.432 -0.479 -1.925 0.00 0.00 +0.148 HD BRANCH 33 35 ATOM 35 C LIG 1 3.206 -1.353 -1.283 0.00 0.00 +0.072 C ATOM 36 C LIG 1 4.009 -0.610 -2.356 0.00 0.00 +0.028 C BRANCH 35 37 ATOM 37 C LIG 1 2.917 -2.786 -1.769 0.00 0.00 +0.009 C ATOM 38 C LIG 1 2.252 -3.740 -0.735 0.00 0.00 +0.005 C ATOM 39 C LIG 1 3.655 -4.272 -0.398 0.00 0.00 +0.001 C ATOM 40 C LIG 1 4.110 -3.784 -1.784 0.00 0.00 +0.005 C ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 8 33 TORSDOF 7