REMARK Name = BDB052187 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.148 -2.939 0.986 0.00 0.00 -0.027 A ATOM 2 C LIG 1 1.740 -2.606 -0.315 0.00 0.00 +0.050 A ATOM 3 C LIG 1 0.411 -2.755 -0.723 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -0.526 -3.248 0.182 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -0.132 -3.599 1.475 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.197 -3.452 1.875 0.00 0.00 +0.005 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 3.575 -2.719 1.419 0.00 0.00 +0.147 C BRANCH 7 9 ATOM 8 C LIG 1 3.966 -0.245 1.516 0.00 0.00 +0.409 C ATOM 9 N LIG 1 3.746 -1.462 2.150 0.00 0.00 -0.252 N ATOM 10 O LIG 1 4.082 0.803 2.142 0.00 0.00 -0.226 OA BRANCH 8 11 ATOM 11 O LIG 1 3.994 -0.357 0.133 0.00 0.00 -0.411 OA BRANCH 11 16 ATOM 12 C LIG 1 4.224 4.562 -2.698 0.00 0.00 +0.044 C ATOM 13 C LIG 1 4.159 3.250 -1.971 0.00 0.00 -0.050 A ATOM 14 C LIG 1 2.940 2.795 -1.447 0.00 0.00 +0.007 A ATOM 15 C LIG 1 2.880 1.595 -0.738 0.00 0.00 +0.047 A ATOM 16 C LIG 1 4.050 0.867 -0.536 0.00 0.00 +0.133 A ATOM 17 C LIG 1 5.269 1.294 -1.053 0.00 0.00 +0.047 A ATOM 18 C LIG 1 5.323 2.494 -1.762 0.00 0.00 +0.007 A ENDBRANCH 11 16 ENDBRANCH 8 11 BRANCH 9 19 ATOM 19 C LIG 1 3.815 -1.502 3.617 0.00 0.00 +0.231 C BRANCH 19 20 ATOM 20 C LIG 1 2.521 -1.183 4.360 0.00 0.00 +0.322 C ATOM 21 O LIG 1 2.410 -1.290 5.575 0.00 0.00 -0.249 OA BRANCH 20 22 ATOM 22 O LIG 1 1.496 -0.773 3.584 0.00 0.00 -0.480 OA ATOM 23 H LIG 1 1.743 -0.735 2.638 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 9 19 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 3 24 ATOM 24 O LIG 1 0.176 -2.380 -2.016 0.00 0.00 -0.486 OA BRANCH 24 25 ATOM 25 C LIG 1 -1.175 -2.387 -2.496 0.00 0.00 +0.288 C BRANCH 25 26 ATOM 26 C LIG 1 -1.967 -1.215 -2.032 0.00 0.00 +0.120 A ATOM 27 C LIG 1 -1.683 0.129 -2.150 0.00 0.00 +0.129 A ATOM 28 C LIG 1 -0.581 0.907 -2.744 0.00 0.00 +0.088 C ATOM 29 O LIG 1 -2.703 0.827 -1.570 0.00 0.00 -0.440 OA ATOM 30 C LIG 1 -3.568 -0.138 -1.122 0.00 0.00 +0.228 A ATOM 31 N LIG 1 -3.174 -1.372 -1.381 0.00 0.00 -0.210 NA BRANCH 30 32 ATOM 32 C LIG 1 -4.777 0.322 -0.444 0.00 0.00 +0.037 A ATOM 33 C LIG 1 -5.048 1.683 -0.248 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -6.216 2.096 0.402 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -7.136 1.154 0.873 0.00 0.00 -0.050 A ATOM 36 C LIG 1 -8.400 1.584 1.556 0.00 0.00 +0.044 C ATOM 37 C LIG 1 -6.874 -0.206 0.677 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -5.706 -0.616 0.028 0.00 0.00 +0.013 A ENDBRANCH 30 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 11