REMARK Name = BDB020433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.053 -0.614 -0.406 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.807 -0.144 0.023 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.623 -0.191 -0.275 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.179 0.643 0.836 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -0.132 1.233 1.751 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -0.062 2.760 1.657 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -0.297 0.753 3.195 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.511 0.959 0.985 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -3.354 0.349 0.097 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -3.063 -0.524 -0.306 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -2.920 1.743 1.834 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 1.055 0.620 1.119 0.00 0.00 +0.066 A ATOM 13 N LIG 1 2.383 0.601 1.334 0.00 0.00 -0.277 N ATOM 14 H LIG 1 2.935 1.047 2.061 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 3.018 -0.151 0.404 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 3.391 -2.016 -1.961 0.00 0.00 +0.249 C ATOM 17 N LIG 1 2.236 -1.451 -1.481 0.00 0.00 -0.265 N ATOM 18 H LIG 1 1.405 -1.830 -1.909 0.00 0.00 +0.157 HD ATOM 19 O LIG 1 3.316 -2.941 -2.772 0.00 0.00 -0.270 OA BRANCH 16 23 ATOM 20 C LIG 1 7.342 -0.696 -0.966 0.00 0.00 +0.034 A ATOM 21 C LIG 1 6.406 0.209 -1.487 0.00 0.00 +0.024 A ATOM 22 C LIG 1 5.108 -0.205 -1.801 0.00 0.00 +0.015 A ATOM 23 C LIG 1 4.731 -1.531 -1.575 0.00 0.00 +0.037 A ATOM 24 C LIG 1 5.663 -2.446 -1.082 0.00 0.00 +0.015 A ATOM 25 C LIG 1 6.961 -2.026 -0.768 0.00 0.00 +0.024 A BRANCH 20 27 ATOM 26 C LIG 1 9.712 -0.893 -0.199 0.00 0.00 +0.241 C ATOM 27 N LIG 1 8.626 -0.193 -0.673 0.00 0.00 -0.282 N ATOM 28 H LIG 1 8.771 0.786 -0.876 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 9.797 -2.098 0.005 0.00 0.00 -0.271 OA BRANCH 26 31 ATOM 30 C LIG 1 10.922 1.214 0.446 0.00 0.00 +0.013 C ATOM 31 C LIG 1 10.925 -0.056 0.019 0.00 0.00 +0.060 C ENDBRANCH 26 31 ENDBRANCH 20 27 ENDBRANCH 16 23 ENDBRANCH 1 17 BRANCH 9 32 ATOM 32 C LIG 1 -4.800 0.595 0.105 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 C LIG 1 -5.319 0.207 -1.274 0.00 0.00 -0.026 A ATOM 34 C LIG 1 -5.487 -1.133 -1.660 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -5.936 -1.454 -2.943 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.210 -0.443 -3.861 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -6.031 0.890 -3.500 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.584 1.213 -2.218 0.00 0.00 +0.005 A ENDBRANCH 32 33 BRANCH 32 39 ATOM 39 C LIG 1 -5.501 -0.119 1.313 0.00 0.00 +0.111 C BRANCH 39 40 ATOM 40 N LIG 1 -6.849 0.369 1.694 0.00 0.00 -0.306 NA ATOM 41 C LIG 1 -7.875 0.050 0.703 0.00 0.00 +0.104 C ATOM 42 C LIG 1 -7.229 -0.191 2.995 0.00 0.00 +0.104 C ENDBRANCH 39 40 ENDBRANCH 32 39 ENDBRANCH 9 32 TORSDOF 8