REMARK Name = BDB027081 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.487 0.002 0.480 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.567 1.403 -0.114 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.280 2.513 0.703 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.353 3.812 0.198 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.723 4.024 -1.127 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.024 2.938 -1.946 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.952 1.637 -1.443 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.193 -1.129 -0.544 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -1.085 -1.635 -1.233 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 5.233 -0.430 -0.187 0.00 0.00 -0.013 A ATOM 11 C LIG 1 4.821 -1.705 -0.601 0.00 0.00 +0.034 A ATOM 12 C LIG 1 3.446 -1.957 -0.733 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.462 -1.004 -0.457 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.186 -1.627 -0.690 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.458 -2.909 -1.143 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.900 0.279 -0.063 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.808 -3.100 -1.149 0.00 0.00 -0.360 N ATOM 18 H LIG 1 3.276 -3.951 -1.432 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 4.271 0.549 0.070 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 10.105 -0.805 0.705 0.00 0.00 +0.172 C ATOM 21 N LIG 1 8.797 -0.304 0.363 0.00 0.00 -0.274 N ATOM 22 N LIG 1 8.651 0.992 0.036 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.342 1.105 -0.208 0.00 0.00 +0.142 A ATOM 24 C LIG 1 6.645 -0.115 -0.043 0.00 0.00 +0.020 A ATOM 25 C LIG 1 7.628 -1.009 0.332 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -1.644 -0.324 1.365 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -1.625 0.325 2.151 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.960 -0.214 0.722 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.050 -0.688 1.696 0.00 0.00 +0.051 C BRANCH 29 30 ATOM 30 C LIG 1 -5.434 -0.562 1.099 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -6.186 0.624 1.158 0.00 0.00 +0.045 A ATOM 32 CL LIG 1 -5.588 2.043 1.944 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 -7.454 0.697 0.574 0.00 0.00 +0.035 A ATOM 34 C LIG 1 -7.988 -0.415 -0.084 0.00 0.00 +0.060 A ATOM 35 C LIG 1 -7.246 -1.598 -0.158 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -5.979 -1.669 0.426 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -9.328 -0.386 -0.718 0.00 0.00 +0.337 C ATOM 38 O LIG 1 -9.860 -1.310 -1.303 0.00 0.00 -0.245 OA BRANCH 37 39 ATOM 39 O LIG 1 -9.940 0.804 -0.588 0.00 0.00 -0.477 OA ATOM 40 H LIG 1 -10.797 0.679 -1.046 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 34 37 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10