REMARK Name = BDB061249 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.103 -2.369 -0.870 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -2.244 -2.127 -0.067 0.00 0.00 +0.151 A ATOM 3 C LIG 1 -2.843 -3.148 0.685 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -4.034 -2.810 1.501 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -4.486 -1.409 1.462 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -3.825 -0.522 0.709 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -4.653 -3.604 2.196 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -2.301 -4.435 0.636 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -1.176 -4.693 -0.146 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -2.733 -0.839 -0.073 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -0.582 -3.669 -0.884 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -4.234 0.895 0.629 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -4.644 1.609 1.767 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -5.014 2.955 1.674 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -4.969 3.594 0.441 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -4.557 2.912 -0.697 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -4.188 1.568 -0.602 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -5.320 4.904 0.304 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -5.589 5.246 1.172 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 -2.851 -5.461 1.349 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -2.366 -6.286 1.187 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 0.522 -4.046 -1.595 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 0.985 -3.274 -1.953 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 -0.501 -1.227 -1.667 0.00 0.00 +0.127 C BRANCH 24 30 ATOM 25 O LIG 1 4.669 1.992 -1.948 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 4.210 1.553 -0.896 0.00 0.00 +0.247 C ATOM 27 N LIG 1 2.917 1.056 -0.785 0.00 0.00 -0.295 N ATOM 28 C LIG 1 2.035 1.167 -1.946 0.00 0.00 +0.123 C ATOM 29 C LIG 1 0.554 0.977 -1.574 0.00 0.00 +0.104 C ATOM 30 N LIG 1 0.245 -0.270 -0.841 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 1.434 -0.853 -0.193 0.00 0.00 +0.104 C ATOM 32 C LIG 1 2.435 0.205 0.310 0.00 0.00 +0.123 C BRANCH 26 33 ATOM 33 C LIG 1 5.084 1.557 0.300 0.00 0.00 +0.037 A ATOM 34 C LIG 1 6.372 1.022 0.194 0.00 0.00 +0.013 A ATOM 35 C LIG 1 7.219 1.030 1.303 0.00 0.00 +0.001 A ATOM 36 C LIG 1 6.785 1.584 2.508 0.00 0.00 +0.000 A ATOM 37 C LIG 1 5.509 2.141 2.607 0.00 0.00 +0.001 A ATOM 38 C LIG 1 4.658 2.136 1.501 0.00 0.00 +0.013 A ENDBRANCH 26 33 ENDBRANCH 24 30 ENDBRANCH 1 24 TORSDOF 7