REMARK Name = BDB048218 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.008 -0.614 0.651 0.00 0.00 +0.002 A ATOM 2 C LIG 1 -0.867 -0.403 -0.431 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -2.155 0.145 -0.226 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -2.525 0.476 1.077 0.00 0.00 +0.048 A ATOM 5 N LIG 1 -3.802 0.981 1.028 0.00 0.00 -0.354 N ATOM 6 H LIG 1 -4.320 1.301 1.834 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -4.277 0.986 -0.260 0.00 0.00 +0.052 A ATOM 8 C LIG 1 -5.516 1.401 -0.773 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -6.706 2.003 -0.076 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -7.806 1.793 -1.126 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -7.118 1.817 -2.500 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -5.759 1.304 -2.151 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -4.773 0.823 -2.970 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -4.730 0.640 -4.419 0.00 0.00 +0.260 A ATOM 15 O LIG 1 -5.624 0.895 -5.199 0.00 0.00 -0.267 OA ATOM 16 N LIG 1 -3.501 0.132 -4.701 0.00 0.00 -0.289 N ATOM 17 H LIG 1 -3.189 -0.095 -5.632 0.00 0.00 +0.172 HD ATOM 18 C LIG 1 -2.736 -0.037 -3.586 0.00 0.00 +0.260 A ATOM 19 O LIG 1 -1.604 -0.475 -3.552 0.00 0.00 -0.267 OA ATOM 20 C LIG 1 -3.547 0.410 -2.454 0.00 0.00 +0.062 A ATOM 21 C LIG 1 -1.681 0.292 2.176 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -3.258 0.471 -1.081 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -0.415 -0.255 1.937 0.00 0.00 +0.012 A ENDROOT BRANCH 1 27 ATOM 24 C LIG 1 3.352 -1.856 1.165 0.00 0.00 +0.096 A ATOM 25 S LIG 1 3.410 -2.339 -0.485 0.00 0.00 -0.078 S ATOM 26 C LIG 1 1.822 -1.731 -0.708 0.00 0.00 +0.075 A ATOM 27 C LIG 1 1.339 -1.199 0.473 0.00 0.00 +0.078 A ATOM 28 N LIG 1 2.233 -1.269 1.536 0.00 0.00 -0.242 NA BRANCH 24 29 ATOM 29 C LIG 1 4.526 -2.105 2.061 0.00 0.00 +0.168 C BRANCH 29 33 ATOM 30 N LIG 1 7.538 -0.125 2.241 0.00 0.00 -0.300 N ATOM 31 H LIG 1 7.074 0.722 1.946 0.00 0.00 +0.150 HD ATOM 32 C LIG 1 6.665 -1.113 2.623 0.00 0.00 +0.300 C ATOM 33 N LIG 1 5.516 -1.062 1.880 0.00 0.00 -0.293 N ATOM 34 H LIG 1 5.650 -0.725 0.938 0.00 0.00 +0.151 HD ATOM 35 O LIG 1 6.878 -1.936 3.501 0.00 0.00 -0.253 OA BRANCH 30 37 ATOM 36 C LIG 1 9.825 -0.999 2.541 0.00 0.00 +0.024 C ATOM 37 C LIG 1 8.798 0.049 2.938 0.00 0.00 +0.102 C ENDBRANCH 30 37 ENDBRANCH 29 33 ENDBRANCH 24 29 ENDBRANCH 1 27 TORSDOF 4