REMARK Name = BDB024098 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.678 -1.692 0.763 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.535 -3.016 0.018 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.958 -4.207 0.631 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.838 -5.430 -0.032 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.303 -5.477 -1.317 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.893 -4.303 -1.944 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.011 -3.079 -1.284 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.737 -1.300 0.836 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.731 -2.279 1.082 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.488 -0.701 0.549 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.645 0.468 0.207 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.526 0.463 0.614 0.00 0.00 +0.003 A ATOM 13 C LIG 1 3.344 1.148 0.339 0.00 0.00 +0.121 A ATOM 14 N LIG 1 2.104 0.607 0.402 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 1.990 -0.682 0.751 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.106 -1.458 1.042 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.377 -0.880 0.972 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 9.639 2.962 0.321 0.00 0.00 +0.088 C ATOM 19 C LIG 1 8.291 2.317 0.377 0.00 0.00 +0.126 A ATOM 20 N LIG 1 8.155 1.098 -0.176 0.00 0.00 -0.240 NA ATOM 21 C LIG 1 6.931 0.532 -0.088 0.00 0.00 +0.122 A ATOM 22 C LIG 1 5.837 1.109 0.533 0.00 0.00 +0.020 A ATOM 23 C LIG 1 6.107 2.356 1.072 0.00 0.00 +0.122 A ATOM 24 N LIG 1 7.306 2.975 1.014 0.00 0.00 -0.240 NA ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -3.015 -1.076 0.598 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -3.715 -1.733 0.937 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.356 -0.687 -0.779 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -4.705 0.079 -0.915 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -5.854 -0.644 -0.198 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -4.696 1.559 -0.545 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -3.768 2.120 0.342 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -3.799 3.484 0.650 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.767 4.312 0.080 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.704 3.769 -0.802 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.666 2.406 -1.110 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -4.802 5.709 0.398 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -4.839 6.841 0.653 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9