REMARK Name = BDB007486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.131 0.589 0.840 0.00 0.00 +0.146 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.163 1.590 1.830 0.00 0.00 -0.389 OA ATOM 3 H LIG 1 0.703 1.781 2.249 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 -0.945 0.632 -0.249 0.00 0.00 +0.140 C BRANCH 4 7 ATOM 5 O LIG 1 -3.253 -0.221 -1.658 0.00 0.00 -0.226 OA ATOM 6 C LIG 1 -3.332 0.080 -0.475 0.00 0.00 +0.406 C ATOM 7 N LIG 1 -2.259 0.392 0.312 0.00 0.00 -0.278 N ATOM 8 H LIG 1 -2.471 0.830 1.200 0.00 0.00 +0.152 HD BRANCH 6 9 ATOM 9 O LIG 1 -4.491 0.174 0.277 0.00 0.00 -0.412 OA BRANCH 9 10 ATOM 10 C LIG 1 -5.660 -0.134 -0.426 0.00 0.00 +0.133 A ATOM 11 C LIG 1 -6.533 0.905 -0.740 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -7.730 0.614 -1.393 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -8.048 -0.708 -1.713 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -7.173 -1.744 -1.376 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -5.974 -1.459 -0.722 0.00 0.00 +0.046 A ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 4 7 ENDBRANCH 1 4 BRANCH 1 16 ATOM 16 C LIG 1 1.533 0.854 0.252 0.00 0.00 +0.117 C BRANCH 16 17 ATOM 17 N LIG 1 2.553 1.026 1.314 0.00 0.00 -0.295 NA ATOM 18 C LIG 1 3.824 1.530 0.746 0.00 0.00 +0.120 C ATOM 19 C LIG 1 4.646 0.495 0.007 0.00 0.00 -0.030 A ATOM 20 C LIG 1 4.497 -0.877 0.280 0.00 0.00 -0.042 A ATOM 21 C LIG 1 5.297 -1.811 -0.391 0.00 0.00 +0.004 A ATOM 22 C LIG 1 6.254 -1.386 -1.312 0.00 0.00 +0.000 A ATOM 23 C LIG 1 6.417 -0.028 -1.571 0.00 0.00 +0.000 A ATOM 24 C LIG 1 3.438 -1.349 1.245 0.00 0.00 +0.051 C ATOM 25 C LIG 1 5.621 0.909 -0.912 0.00 0.00 +0.005 A ATOM 26 C LIG 1 2.839 -0.205 2.076 0.00 0.00 +0.089 C ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 7