REMARK Name = BDB000487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.416 -3.156 -0.258 0.00 0.00 -0.488 OA ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.943 -1.981 1.103 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -1.512 -2.335 -0.190 0.00 0.00 +0.162 A ATOM 4 C LIG 1 -2.210 -1.855 -1.298 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -3.321 -1.024 -1.125 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -3.767 -0.652 0.153 0.00 0.00 +0.011 A ATOM 7 C LIG 1 -3.061 -1.148 1.263 0.00 0.00 +0.060 A BRANCH 6 8 ATOM 8 C LIG 1 -4.951 0.228 0.260 0.00 0.00 +0.109 A ATOM 9 S LIG 1 -5.473 0.894 1.773 0.00 0.00 -0.072 S ATOM 10 C LIG 1 -6.753 1.682 0.984 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -7.745 2.563 1.661 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -8.949 2.814 0.733 0.00 0.00 +0.006 C ATOM 13 C LIG 1 -8.514 3.115 -0.713 0.00 0.00 +0.006 C ATOM 14 C LIG 1 -7.720 1.950 -1.330 0.00 0.00 +0.056 C ATOM 15 C LIG 1 -6.716 1.415 -0.367 0.00 0.00 +0.052 A ATOM 16 N LIG 1 -5.694 0.587 -0.775 0.00 0.00 -0.244 NA ENDBRANCH 6 8 BRANCH 2 18 ATOM 17 C LIG 1 -1.574 -2.134 3.463 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -1.207 -2.500 2.142 0.00 0.00 -0.491 OA ENDBRANCH 2 18 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 0.126 -3.442 -1.546 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 C LIG 1 1.385 -4.286 -1.359 0.00 0.00 +0.082 C BRANCH 20 21 ATOM 21 C LIG 1 2.501 -3.510 -0.662 0.00 0.00 +0.232 C BRANCH 21 22 ATOM 22 O LIG 1 2.942 -2.470 -1.536 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 3.941 -1.652 -1.080 0.00 0.00 +0.121 A ATOM 24 C LIG 1 4.328 -0.655 -1.982 0.00 0.00 +0.049 A ATOM 25 C LIG 1 5.337 0.223 -1.622 0.00 0.00 -0.040 A ATOM 26 C LIG 1 5.881 1.370 -2.411 0.00 0.00 +0.036 C ATOM 27 C LIG 1 7.198 1.643 -1.668 0.00 0.00 +0.013 C ATOM 28 C LIG 1 6.986 1.216 -0.195 0.00 0.00 +0.030 C ATOM 29 C LIG 1 5.954 0.135 -0.371 0.00 0.00 -0.040 A ATOM 30 C LIG 1 5.581 -0.845 0.534 0.00 0.00 +0.008 A ATOM 31 C LIG 1 4.570 -1.744 0.172 0.00 0.00 +0.046 A BRANCH 28 32 ATOM 32 C LIG 1 6.461 2.348 0.692 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 7.535 3.352 1.004 0.00 0.00 +0.305 C ATOM 34 O LIG 1 8.716 3.293 0.711 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 7.055 4.401 1.700 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 7.839 4.971 1.847 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11