REMARK Name = BDB046383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.110 0.426 -0.302 0.00 0.00 -0.046 A ATOM 2 C LIG 1 -2.019 0.567 0.565 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -0.701 0.304 0.140 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -0.477 -0.122 -1.186 0.00 0.00 +0.132 A ATOM 5 C LIG 1 -1.574 -0.256 -2.051 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -2.874 0.014 -1.614 0.00 0.00 +0.007 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.372 0.504 1.173 0.00 0.00 +0.248 C ATOM 8 N LIG 1 1.672 0.288 0.792 0.00 0.00 -0.307 N ATOM 9 H LIG 1 1.861 0.035 -0.172 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 0.080 0.854 2.314 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 2.777 0.510 1.689 0.00 0.00 +0.140 C BRANCH 11 12 ATOM 12 C LIG 1 4.078 0.125 1.039 0.00 0.00 -0.027 A ATOM 13 C LIG 1 4.775 1.048 0.245 0.00 0.00 +0.050 A ATOM 14 C LIG 1 5.972 0.698 -0.388 0.00 0.00 +0.120 A ATOM 15 C LIG 1 6.473 -0.594 -0.232 0.00 0.00 +0.045 A ATOM 16 C LIG 1 5.780 -1.527 0.544 0.00 0.00 +0.004 A ATOM 17 C LIG 1 4.587 -1.171 1.173 0.00 0.00 +0.005 A BRANCH 14 18 ATOM 18 O LIG 1 6.541 1.700 -1.124 0.00 0.00 -0.495 OA ATOM 19 C LIG 1 7.794 1.417 -1.735 0.00 0.00 +0.277 C ENDBRANCH 14 18 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 3 7 BRANCH 4 20 ATOM 20 O LIG 1 0.816 -0.373 -1.573 0.00 0.00 -0.494 OA ATOM 21 C LIG 1 1.032 -0.961 -2.852 0.00 0.00 +0.277 C ENDBRANCH 4 20 BRANCH 1 22 ATOM 22 C LIG 1 -4.514 0.704 0.185 0.00 0.00 +0.049 C BRANCH 22 23 ATOM 23 C LIG 1 -5.104 -0.454 1.009 0.00 0.00 +0.102 C BRANCH 23 25 ATOM 24 C LIG 1 -6.282 0.887 2.840 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -6.439 -0.084 1.679 0.00 0.00 +0.011 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 -5.321 -1.681 0.152 0.00 0.00 +0.308 C ATOM 27 O LIG 1 -4.918 -2.806 0.395 0.00 0.00 -0.251 OA BRANCH 26 28 ATOM 28 O LIG 1 -6.078 -1.457 -0.939 0.00 0.00 -0.480 OA ATOM 29 H LIG 1 -6.161 -2.348 -1.343 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 10