REMARK Name = BDB024091 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.303 -0.038 0.164 0.00 0.00 +0.172 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.433 -1.555 0.141 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.282 -2.312 1.314 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.360 -3.705 1.276 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.587 -4.358 0.067 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.740 -3.621 -1.105 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.663 -2.228 -1.071 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.170 0.449 0.404 0.00 0.00 +0.239 C ATOM 9 N LIG 1 1.151 -0.351 -0.162 0.00 0.00 -0.284 N ATOM 10 H LIG 1 0.846 -1.233 -0.558 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 0.373 1.505 1.007 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.544 -0.139 -0.165 0.00 0.00 +0.033 A ATOM 13 C LIG 1 3.167 0.999 0.344 0.00 0.00 +0.024 A ATOM 14 C LIG 1 4.562 1.129 0.296 0.00 0.00 +0.010 A ATOM 15 C LIG 1 5.361 0.125 -0.263 0.00 0.00 -0.015 A ATOM 16 C LIG 1 4.733 -1.013 -0.779 0.00 0.00 +0.010 A ATOM 17 C LIG 1 3.339 -1.144 -0.729 0.00 0.00 +0.024 A BRANCH 15 18 ATOM 18 C LIG 1 6.808 0.253 -0.321 0.00 0.00 +0.020 A ATOM 19 C LIG 1 7.583 0.976 0.564 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.877 0.819 0.161 0.00 0.00 -0.274 N ATOM 21 C LIG 1 10.053 1.385 0.775 0.00 0.00 +0.172 C ATOM 22 N LIG 1 9.009 0.040 -0.927 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.751 -0.303 -1.218 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.164 0.559 1.219 0.00 0.00 -0.299 NA ATOM 25 H LIG 1 -1.609 1.316 1.640 0.00 0.00 +0.123 HD BRANCH 24 27 ATOM 26 C LIG 1 -4.014 1.987 1.847 0.00 0.00 +0.024 C ATOM 27 C LIG 1 -3.421 1.142 0.710 0.00 0.00 +0.056 C BRANCH 27 28 ATOM 28 C LIG 1 -4.426 0.064 0.241 0.00 0.00 +0.053 C BRANCH 28 29 ATOM 29 C LIG 1 -5.703 0.625 -0.348 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.688 1.276 -1.590 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.866 1.795 -2.131 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -8.065 1.663 -1.433 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 -9.517 2.303 -2.100 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 -8.096 1.016 -0.201 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -6.918 0.497 0.340 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 TORSDOF 8