REMARK Name = BDB010310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.074 -0.947 0.262 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.699 -0.743 0.180 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.141 -1.359 1.088 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.442 -1.083 0.828 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.455 -0.346 -0.263 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.273 -2.142 2.096 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.606 -2.261 2.123 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.156 0.046 -0.574 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.504 -1.722 1.276 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 2.138 -3.107 3.215 0.00 0.00 +0.220 A ATOM 11 N LIG 1 1.282 -3.669 4.084 0.00 0.00 -0.269 N ATOM 12 H LIG 1 0.278 -3.587 4.086 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 2.016 -4.372 4.954 0.00 0.00 +0.440 A ATOM 14 O LIG 1 1.590 -5.026 5.892 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 3.340 -4.238 4.614 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 3.377 -3.393 3.457 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 -2.592 0.009 -0.932 0.00 0.00 -0.294 N ATOM 18 C LIG 1 -3.869 -0.013 -0.176 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -4.826 1.003 -0.836 0.00 0.00 +0.027 C ATOM 20 C LIG 1 -5.144 0.656 -2.291 0.00 0.00 +0.004 C ATOM 21 C LIG 1 -4.008 -0.092 -2.983 0.00 0.00 +0.019 C ATOM 22 C LIG 1 -2.644 0.230 -2.378 0.00 0.00 +0.108 C BRANCH 18 23 ATOM 23 C LIG 1 -4.519 -1.390 0.001 0.00 0.00 -0.027 A ATOM 24 C LIG 1 -3.990 -2.571 -0.543 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -4.619 -3.804 -0.351 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.788 -3.883 0.400 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -6.322 -2.731 0.967 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -5.691 -1.499 0.775 0.00 0.00 +0.005 A ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 29 ATOM 29 N LIG 1 2.975 -0.397 -0.650 0.00 0.00 -0.324 N ATOM 30 H LIG 1 2.661 -0.610 -1.592 0.00 0.00 +0.148 HD BRANCH 29 32 ATOM 31 C LIG 1 4.980 0.218 0.625 0.00 0.00 +0.028 C ATOM 32 C LIG 1 4.400 -0.704 -0.451 0.00 0.00 +0.072 C BRANCH 32 33 ATOM 33 C LIG 1 5.153 -0.455 -1.765 0.00 0.00 +0.009 C ATOM 34 C LIG 1 6.626 -0.947 -1.840 0.00 0.00 +0.005 C ATOM 35 C LIG 1 6.354 -1.314 -3.313 0.00 0.00 +0.001 C ATOM 36 C LIG 1 4.867 -1.448 -2.928 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 1 29 BRANCH 8 37 ATOM 37 C LIG 1 0.266 1.175 -1.381 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 0.352 2.553 -0.681 0.00 0.00 +0.009 C ATOM 39 C LIG 1 1.427 2.613 0.420 0.00 0.00 +0.005 C ATOM 40 C LIG 1 1.257 3.863 1.278 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -0.072 3.829 2.054 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -0.524 5.252 2.389 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -1.171 3.048 1.311 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -1.003 3.112 -0.204 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 8