REMARK Name = BDB027718 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.306 -0.928 -0.271 0.00 0.00 +0.131 A ATOM 2 C LIG 1 0.078 -1.910 -1.203 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.403 -1.847 -1.638 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.795 -2.816 -2.549 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.009 -3.803 -3.056 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.266 -3.825 -2.631 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.265 -0.911 -1.218 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 1.803 -0.014 -0.340 0.00 0.00 +0.164 A ATOM 9 C LIG 1 -0.773 -2.917 -1.721 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.546 0.025 0.130 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.708 1.050 0.097 0.00 0.00 +0.040 A ATOM 12 C LIG 1 4.003 0.814 0.578 0.00 0.00 +0.070 A ATOM 13 CL LIG 1 4.673 -0.764 0.786 0.00 0.00 -0.081 Cl ATOM 14 C LIG 1 4.780 1.905 0.953 0.00 0.00 +0.131 A ATOM 15 N LIG 1 4.372 3.195 0.893 0.00 0.00 -0.262 NA ATOM 16 C LIG 1 3.121 3.406 0.441 0.00 0.00 +0.111 A ATOM 17 C LIG 1 2.271 2.387 0.043 0.00 0.00 +0.033 A ENDBRANCH 8 11 BRANCH 1 18 ATOM 18 N LIG 1 -1.620 -0.938 0.224 0.00 0.00 -0.323 N ATOM 19 H LIG 1 -1.808 -1.869 0.591 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 -2.140 0.098 1.141 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -1.402 0.067 2.492 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -3.613 -0.288 1.421 0.00 0.00 +0.031 C BRANCH 20 24 ATOM 23 C LIG 1 -2.757 1.668 -0.836 0.00 0.00 +0.006 C ATOM 24 C LIG 1 -2.095 1.521 0.530 0.00 0.00 +0.022 C ENDBRANCH 20 24 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 4