REMARK Name = BDB010853 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.868 -0.275 0.056 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -1.045 0.843 0.217 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -1.438 1.848 1.082 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.545 2.868 1.104 0.00 0.00 -0.210 NA ATOM 5 C LIG 1 0.449 2.516 0.299 0.00 0.00 +0.145 A ATOM 6 N LIG 1 -2.559 1.837 1.817 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.261 0.713 1.640 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.196 1.261 -0.247 0.00 0.00 -0.321 N ATOM 9 N LIG 1 -2.974 -0.317 0.824 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.510 0.614 2.428 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.842 1.614 3.260 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.329 2.465 3.426 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.001 1.272 3.837 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.619 1.935 4.654 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.383 0.046 3.351 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.368 -0.354 2.421 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 1.639 3.454 0.136 0.00 0.00 +0.128 C ATOM 18 C LIG 1 2.569 3.359 1.354 0.00 0.00 +0.071 C ATOM 19 C LIG 1 3.748 4.315 1.218 0.00 0.00 +0.163 C ATOM 20 O LIG 1 4.430 4.103 -0.019 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 3.585 4.384 -1.136 0.00 0.00 +0.163 C ATOM 22 C LIG 1 2.433 3.387 -1.163 0.00 0.00 +0.071 C BRANCH 17 23 ATOM 23 O LIG 1 1.040 4.769 0.165 0.00 0.00 -0.381 OA ATOM 24 H LIG 1 0.275 4.695 0.775 0.00 0.00 +0.211 HD ENDBRANCH 17 23 ENDBRANCH 5 17 BRANCH 1 25 ATOM 25 N LIG 1 -1.600 -1.308 -0.833 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -1.357 -0.959 -1.752 0.00 0.00 +0.148 HD BRANCH 25 28 ATOM 27 C LIG 1 -1.682 -3.704 -1.071 0.00 0.00 +0.028 C ATOM 28 C LIG 1 -2.534 -2.441 -0.894 0.00 0.00 +0.072 C BRANCH 28 29 ATOM 29 C LIG 1 -3.491 -2.311 -2.092 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -4.706 -3.286 -2.095 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.543 -2.153 -1.469 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -4.545 -1.163 -2.094 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 C LIG 1 1.063 0.482 -1.112 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 2.238 -0.210 -0.396 0.00 0.00 +0.009 C ATOM 35 C LIG 1 3.186 -0.827 -1.437 0.00 0.00 +0.005 C ATOM 36 C LIG 1 4.361 -1.550 -0.781 0.00 0.00 +0.003 C ATOM 37 C LIG 1 3.884 -2.619 0.209 0.00 0.00 -0.014 C ATOM 38 C LIG 1 5.074 -3.294 0.888 0.00 0.00 +0.007 C ATOM 39 C LIG 1 2.939 -2.010 1.251 0.00 0.00 +0.003 C ATOM 40 C LIG 1 1.765 -1.285 0.595 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 8