REMARK Name = BDB032103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.088 -0.888 0.548 0.00 0.00 +0.077 C ENDROOT BRANCH 1 7 ATOM 2 N LIG 1 -0.821 1.005 -0.812 0.00 0.00 -0.280 N ATOM 3 C LIG 1 -1.854 1.904 -0.691 0.00 0.00 +0.347 A ATOM 4 O LIG 1 -2.209 2.736 -1.512 0.00 0.00 -0.245 OA ATOM 5 N LIG 1 -2.419 1.646 0.557 0.00 0.00 -0.209 N ATOM 6 N LIG 1 -1.791 0.576 1.153 0.00 0.00 -0.153 NA ATOM 7 C LIG 1 -0.869 0.241 0.297 0.00 0.00 +0.134 A BRANCH 2 9 ATOM 8 C LIG 1 -0.686 -0.038 -3.033 0.00 0.00 +0.027 C ATOM 9 C LIG 1 -0.015 0.865 -2.009 0.00 0.00 +0.125 C ENDBRANCH 2 9 BRANCH 5 10 ATOM 10 C LIG 1 -3.629 2.240 1.069 0.00 0.00 +0.184 C BRANCH 10 11 ATOM 11 C LIG 1 -4.861 1.483 0.640 0.00 0.00 -0.026 A ATOM 12 C LIG 1 -5.530 1.817 -0.540 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -6.662 1.100 -0.943 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -7.160 0.021 -0.187 0.00 0.00 -0.042 A ATOM 15 C LIG 1 -6.467 -0.312 0.988 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -5.333 0.404 1.393 0.00 0.00 +0.006 A BRANCH 14 17 ATOM 17 C LIG 1 -8.406 -0.745 -0.663 0.00 0.00 -0.013 C ATOM 18 C LIG 1 -8.832 -1.893 0.280 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -9.603 0.225 -0.770 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -8.133 -1.369 -2.049 0.00 0.00 +0.015 C ENDBRANCH 14 17 ENDBRANCH 10 11 ENDBRANCH 5 10 ENDBRANCH 1 7 BRANCH 1 21 ATOM 21 C LIG 1 1.384 -0.359 1.159 0.00 0.00 +0.012 C BRANCH 21 22 ATOM 22 C LIG 1 2.372 -1.494 1.425 0.00 0.00 +0.035 C BRANCH 22 23 ATOM 23 C LIG 1 3.666 -0.978 2.004 0.00 0.00 -0.047 A ATOM 24 C LIG 1 4.705 -0.559 1.157 0.00 0.00 +0.012 A ATOM 25 C LIG 1 5.914 -0.056 1.669 0.00 0.00 -0.018 A ATOM 26 C LIG 1 6.056 0.020 3.064 0.00 0.00 +0.008 A ATOM 27 C LIG 1 5.026 -0.387 3.916 0.00 0.00 +0.001 A ATOM 28 C LIG 1 3.835 -0.881 3.388 0.00 0.00 +0.003 A BRANCH 25 29 ATOM 29 C LIG 1 6.997 0.379 0.769 0.00 0.00 -0.017 A ATOM 30 C LIG 1 7.452 -0.451 -0.272 0.00 0.00 +0.020 A ATOM 31 C LIG 1 8.481 -0.056 -1.146 0.00 0.00 +0.021 A ATOM 32 C LIG 1 9.060 1.207 -0.966 0.00 0.00 +0.011 A ATOM 33 C LIG 1 8.624 2.046 0.061 0.00 0.00 +0.001 A ATOM 34 C LIG 1 7.603 1.635 0.919 0.00 0.00 +0.008 A BRANCH 31 35 ATOM 35 C LIG 1 8.900 -0.967 -2.208 0.00 0.00 +0.179 A ATOM 36 N LIG 1 10.007 -0.819 -3.001 0.00 0.00 -0.239 N ATOM 37 H LIG 1 10.714 -0.098 -3.001 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 10.101 -1.830 -3.874 0.00 0.00 -0.046 NA ATOM 39 N LIG 1 9.058 -2.603 -3.615 0.00 0.00 -0.023 NA ATOM 40 N LIG 1 8.308 -2.086 -2.587 0.00 0.00 -0.108 NA ENDBRANCH 31 35 ENDBRANCH 25 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 10