REMARK Name = BDB048700 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.336 -2.802 0.172 0.00 0.00 -0.281 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.102 -4.137 0.220 0.00 0.00 +0.291 A ATOM 3 O LIG 1 -1.105 -4.584 -0.257 0.00 0.00 -0.424 OA ATOM 4 C LIG 1 -1.053 -5.935 -0.092 0.00 0.00 +0.157 A ATOM 5 C LIG 1 0.170 -6.242 0.474 0.00 0.00 +0.111 A ATOM 6 C LIG 1 0.473 -7.582 0.750 0.00 0.00 +0.031 A ATOM 7 C LIG 1 -0.489 -8.555 0.434 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.717 -8.200 -0.139 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -2.033 -6.865 -0.420 0.00 0.00 +0.048 A ATOM 10 N LIG 1 0.892 -5.094 0.666 0.00 0.00 -0.195 NA ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 1.532 -2.316 0.862 0.00 0.00 +0.144 C BRANCH 11 14 ATOM 12 C LIG 1 2.808 1.236 0.214 0.00 0.00 +0.122 A ATOM 13 C LIG 1 2.242 0.120 0.839 0.00 0.00 +0.050 A ATOM 14 C LIG 1 2.137 -1.111 0.173 0.00 0.00 -0.027 A ATOM 15 C LIG 1 2.611 -1.209 -1.141 0.00 0.00 +0.005 A ATOM 16 C LIG 1 3.174 -0.100 -1.771 0.00 0.00 +0.004 A ATOM 17 C LIG 1 3.275 1.120 -1.095 0.00 0.00 +0.046 A BRANCH 12 18 ATOM 18 O LIG 1 2.851 2.357 0.996 0.00 0.00 -0.478 OA BRANCH 18 19 ATOM 19 C LIG 1 3.340 3.580 0.434 0.00 0.00 +0.281 C BRANCH 19 21 ATOM 20 C LIG 1 5.484 4.777 -0.231 0.00 0.00 +0.008 C ATOM 21 C LIG 1 4.867 3.646 0.579 0.00 0.00 +0.053 C ENDBRANCH 19 21 BRANCH 19 22 ATOM 22 C LIG 1 2.663 4.694 1.230 0.00 0.00 +0.346 C ATOM 23 O LIG 1 3.191 5.511 1.969 0.00 0.00 -0.247 OA BRANCH 22 24 ATOM 24 O LIG 1 1.327 4.742 1.029 0.00 0.00 -0.478 OA ATOM 25 H LIG 1 1.018 5.453 1.628 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 12 18 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 1 26 ATOM 26 C LIG 1 -0.793 -1.882 0.001 0.00 0.00 +0.113 C BRANCH 26 27 ATOM 27 C LIG 1 -1.619 -1.742 1.285 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 -2.755 -0.739 1.103 0.00 0.00 +0.230 C BRANCH 28 29 ATOM 29 O LIG 1 -2.175 0.542 0.862 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 -2.998 1.515 0.363 0.00 0.00 +0.123 A ATOM 31 C LIG 1 -2.358 2.578 -0.297 0.00 0.00 -0.009 A ATOM 32 C LIG 1 -0.862 2.591 -0.457 0.00 0.00 +0.047 C ATOM 33 C LIG 1 -3.130 3.619 -0.835 0.00 0.00 +0.010 A ATOM 34 C LIG 1 -4.523 3.626 -0.699 0.00 0.00 -0.050 A ATOM 35 C LIG 1 -5.340 4.729 -1.305 0.00 0.00 +0.044 C ATOM 36 C LIG 1 -5.145 2.564 -0.038 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -4.387 1.518 0.498 0.00 0.00 +0.046 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 13