REMARK Name = BDB047123 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.140 0.035 1.431 0.00 0.00 +0.128 A ATOM 2 C LIG 1 1.094 0.498 0.972 0.00 0.00 +0.092 A ATOM 3 C LIG 1 2.167 -0.381 0.805 0.00 0.00 +0.146 A ATOM 4 C LIG 1 2.024 -1.738 1.093 0.00 0.00 +0.105 A ATOM 5 C LIG 1 3.201 -2.613 0.889 0.00 0.00 +0.197 A ATOM 6 C LIG 1 4.428 -1.960 0.400 0.00 0.00 +0.098 A ATOM 7 C LIG 1 4.429 -0.644 0.155 0.00 0.00 +0.139 A ATOM 8 O LIG 1 3.216 -3.819 1.095 0.00 0.00 -0.287 OA ATOM 9 C LIG 1 0.786 -2.202 1.554 0.00 0.00 +0.135 A ATOM 10 O LIG 1 3.335 0.179 0.349 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -0.291 -1.321 1.727 0.00 0.00 +0.092 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 5.635 0.056 -0.330 0.00 0.00 +0.017 A ATOM 13 C LIG 1 5.981 1.307 0.202 0.00 0.00 +0.011 A ATOM 14 C LIG 1 7.113 1.989 -0.252 0.00 0.00 +0.001 A ATOM 15 C LIG 1 7.912 1.431 -1.247 0.00 0.00 +0.000 A ATOM 16 C LIG 1 7.577 0.194 -1.792 0.00 0.00 +0.001 A ATOM 17 C LIG 1 6.445 -0.489 -1.339 0.00 0.00 +0.011 A ENDBRANCH 7 12 BRANCH 9 18 ATOM 18 O LIG 1 0.602 -3.524 1.847 0.00 0.00 -0.506 OA ATOM 19 H LIG 1 -0.322 -3.701 2.086 0.00 0.00 +0.292 HD ENDBRANCH 9 18 BRANCH 1 20 ATOM 20 O LIG 1 -1.098 1.003 1.545 0.00 0.00 -0.481 OA BRANCH 20 21 ATOM 21 C LIG 1 -2.405 0.619 1.944 0.00 0.00 +0.349 C BRANCH 21 23 ATOM 22 O LIG 1 -3.750 -1.215 1.103 0.00 0.00 -0.247 OA ATOM 23 C LIG 1 -3.208 -0.136 0.894 0.00 0.00 +0.345 C BRANCH 23 24 ATOM 24 O LIG 1 -3.237 0.556 -0.276 0.00 0.00 -0.458 OA BRANCH 24 25 ATOM 25 C LIG 1 -4.001 -0.037 -1.332 0.00 0.00 +0.267 C BRANCH 25 26 ATOM 26 C LIG 1 -5.391 0.541 -1.330 0.00 0.00 -0.010 A ATOM 27 C LIG 1 -5.630 1.818 -1.858 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -6.916 2.361 -1.839 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -7.971 1.639 -1.286 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -7.742 0.374 -0.748 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.458 -0.172 -0.766 0.00 0.00 +0.007 A ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8