REMARK Name = BDB060524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.505 -0.403 0.304 0.00 0.00 +0.101 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.689 -0.339 1.270 0.00 0.00 -0.034 A ATOM 3 C LIG 1 2.025 -0.321 0.841 0.00 0.00 +0.006 A ATOM 4 C LIG 1 3.074 -0.245 1.762 0.00 0.00 +0.015 A ATOM 5 C LIG 1 2.798 -0.180 3.125 0.00 0.00 +0.018 A ATOM 6 BR LIG 1 4.218 -0.075 4.368 0.00 0.00 -0.050 Br ATOM 7 C LIG 1 1.482 -0.189 3.577 0.00 0.00 +0.015 A ATOM 8 C LIG 1 0.435 -0.266 2.655 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 9 C LIG 1 0.303 -0.524 -2.160 0.00 0.00 +0.121 A ATOM 10 C LIG 1 -0.253 -1.128 -1.024 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.591 -2.495 -1.115 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -0.397 -3.215 -2.296 0.00 0.00 +0.001 A ATOM 13 C LIG 1 0.144 -2.587 -3.412 0.00 0.00 +0.004 A ATOM 14 C LIG 1 0.498 -1.241 -3.345 0.00 0.00 +0.046 A BRANCH 9 15 ATOM 15 O LIG 1 0.701 0.782 -2.111 0.00 0.00 -0.506 OA ATOM 16 H LIG 1 0.862 1.091 -3.018 0.00 0.00 +0.292 HD ENDBRANCH 9 15 ENDBRANCH 1 10 BRANCH 1 17 ATOM 17 C LIG 1 -1.303 0.902 0.185 0.00 0.00 +0.053 A ATOM 18 N LIG 1 -2.660 0.783 0.133 0.00 0.00 -0.259 NA ATOM 19 C LIG 1 -3.389 1.917 0.041 0.00 0.00 +0.111 A ATOM 20 C LIG 1 -2.841 3.186 0.007 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -1.459 3.302 0.068 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -0.679 2.152 0.159 0.00 0.00 +0.024 A ENDBRANCH 1 17 TORSDOF 4