REMARK Name = BDB051877 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.047 -0.297 -0.209 0.00 0.00 +0.143 A ATOM 2 O LIG 1 -0.353 -1.048 0.717 0.00 0.00 -0.454 OA ATOM 3 C LIG 1 1.005 -0.869 0.818 0.00 0.00 +0.140 A ATOM 4 C LIG 1 1.625 -1.629 1.805 0.00 0.00 +0.047 A ATOM 5 C LIG 1 2.998 -1.527 1.995 0.00 0.00 +0.012 A ATOM 6 C LIG 1 3.772 -0.666 1.206 0.00 0.00 -0.017 A ATOM 7 C LIG 1 3.163 0.121 0.190 0.00 0.00 -0.004 A ATOM 8 C LIG 1 4.027 0.965 -0.555 0.00 0.00 +0.009 A ATOM 9 C LIG 1 5.404 1.027 -0.317 0.00 0.00 +0.001 A ATOM 10 C LIG 1 5.969 0.246 0.679 0.00 0.00 +0.001 A ATOM 11 C LIG 1 5.157 -0.594 1.434 0.00 0.00 +0.008 A ATOM 12 C LIG 1 1.748 0.001 0.009 0.00 0.00 +0.072 A ATOM 13 C LIG 1 0.984 0.758 -1.021 0.00 0.00 +0.194 A ATOM 14 O LIG 1 1.486 1.525 -1.833 0.00 0.00 -0.287 OA ATOM 15 C LIG 1 -0.473 0.557 -1.062 0.00 0.00 +0.098 A ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 -3.458 0.480 -0.074 0.00 0.00 +0.131 A ATOM 17 C LIG 1 -2.502 -0.548 -0.224 0.00 0.00 +0.059 A ATOM 18 C LIG 1 -2.941 -1.875 -0.383 0.00 0.00 +0.015 A ATOM 19 C LIG 1 -4.301 -2.180 -0.408 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -5.239 -1.163 -0.271 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -4.822 0.160 -0.104 0.00 0.00 +0.046 A BRANCH 16 23 ATOM 22 C LIG 1 -3.908 2.801 0.288 0.00 0.00 +0.277 C ATOM 23 O LIG 1 -2.969 1.750 0.106 0.00 0.00 -0.494 OA ENDBRANCH 16 23 ENDBRANCH 1 17 TORSDOF 2