REMARK Name = BDB001660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.383 1.441 0.119 0.00 0.00 +0.120 A ATOM 2 C LIG 1 5.287 0.052 0.236 0.00 0.00 +0.050 A ATOM 3 C LIG 1 4.036 -0.582 0.159 0.00 0.00 -0.034 A ATOM 4 C LIG 1 3.930 -2.086 0.361 0.00 0.00 +0.041 C ATOM 5 C LIG 1 2.725 -2.725 -0.353 0.00 0.00 +0.049 C ATOM 6 C LIG 1 1.536 -1.839 -0.230 0.00 0.00 +0.019 A ATOM 7 C LIG 1 1.580 -0.469 -0.088 0.00 0.00 +0.084 A ATOM 8 N LIG 1 0.356 0.162 -0.038 0.00 0.00 -0.224 NA ATOM 9 C LIG 1 -0.594 -0.744 -0.122 0.00 0.00 +0.165 A ATOM 10 S LIG 1 -0.078 -2.364 -0.291 0.00 0.00 -0.056 S ATOM 11 C LIG 1 2.869 0.198 -0.015 0.00 0.00 +0.005 A ATOM 12 C LIG 1 2.969 1.585 -0.123 0.00 0.00 +0.014 A ATOM 13 C LIG 1 4.222 2.199 -0.059 0.00 0.00 +0.046 A ENDROOT BRANCH 9 14 ATOM 14 N LIG 1 -1.914 -0.375 -0.098 0.00 0.00 -0.261 N ATOM 15 H LIG 1 -2.034 0.621 0.012 0.00 0.00 +0.157 HD ATOM 16 C LIG 1 -3.010 -1.206 -0.107 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -3.018 -2.430 -0.081 0.00 0.00 -0.270 OA BRANCH 16 18 ATOM 18 C LIG 1 -4.322 -0.496 -0.108 0.00 0.00 +0.037 A ATOM 19 C LIG 1 -5.398 -1.081 0.570 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -6.642 -0.447 0.594 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -6.827 0.778 -0.060 0.00 0.00 -0.050 A ATOM 22 C LIG 1 -8.174 1.439 -0.064 0.00 0.00 +0.044 C ATOM 23 C LIG 1 -5.757 1.343 -0.765 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -4.510 0.713 -0.791 0.00 0.00 +0.013 A ENDBRANCH 16 18 ENDBRANCH 9 14 BRANCH 1 26 ATOM 25 C LIG 1 7.752 1.455 0.341 0.00 0.00 +0.277 C ATOM 26 O LIG 1 6.537 2.174 0.169 0.00 0.00 -0.495 OA ENDBRANCH 1 26 TORSDOF 3