REMARK Name = BDB001368 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.183 -0.865 0.819 0.00 0.00 +0.192 C ATOM 2 N LIG 1 -2.058 0.223 1.245 0.00 0.00 -0.257 N ATOM 3 C LIG 1 -2.848 -0.125 2.324 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -3.650 0.561 2.928 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -2.524 -1.513 2.670 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -3.047 -2.299 3.679 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -2.545 -3.595 3.808 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -1.545 -4.067 2.937 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.030 -3.251 1.924 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -1.531 -1.963 1.801 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -1.456 -1.328 -0.621 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -2.770 -1.576 -1.067 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -3.021 -2.017 -2.368 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -1.964 -2.234 -3.247 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -0.656 -2.015 -2.825 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -0.404 -1.570 -1.524 0.00 0.00 +0.008 A ENDBRANCH 1 11 BRANCH 1 17 ATOM 17 O LIG 1 0.180 -0.432 0.918 0.00 0.00 -0.341 OA BRANCH 17 18 ATOM 18 C LIG 1 0.665 -0.138 2.224 0.00 0.00 +0.217 C BRANCH 18 22 ATOM 19 C LIG 1 3.766 1.387 1.056 0.00 0.00 +0.107 A ATOM 20 N LIG 1 2.493 0.921 0.854 0.00 0.00 -0.344 N ATOM 21 H LIG 1 1.988 0.904 -0.022 0.00 0.00 +0.167 HD ATOM 22 C LIG 1 2.017 0.446 2.050 0.00 0.00 +0.062 A ATOM 23 C LIG 1 3.046 0.660 2.940 0.00 0.00 +0.136 A ATOM 24 N LIG 1 4.120 1.240 2.316 0.00 0.00 -0.240 NA BRANCH 19 25 ATOM 25 C LIG 1 4.591 1.966 -0.041 0.00 0.00 +0.074 C BRANCH 25 26 ATOM 26 C LIG 1 5.375 0.880 -0.779 0.00 0.00 +0.007 C BRANCH 26 28 ATOM 27 C LIG 1 7.011 0.399 -2.634 0.00 0.00 +0.004 C ATOM 28 C LIG 1 6.231 1.475 -1.896 0.00 0.00 -0.003 C ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 19 25 ENDBRANCH 18 22 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 29 ATOM 29 C LIG 1 -2.018 1.557 0.674 0.00 0.00 +0.146 C BRANCH 29 30 ATOM 30 C LIG 1 -2.997 1.763 -0.454 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -4.371 1.869 -0.194 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.280 2.050 -1.237 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.826 2.126 -2.552 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.464 2.023 -2.825 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.553 1.844 -1.782 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 9