REMARK Name = BDB024283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.755 -1.403 -1.252 0.00 0.00 +0.175 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 0.684 -3.720 -1.320 0.00 0.00 +0.125 A ATOM 3 C LIG 1 1.391 -2.694 -1.983 0.00 0.00 +0.020 A ATOM 4 C LIG 1 1.694 -2.850 -3.349 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.346 -4.015 -4.030 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.679 -5.034 -3.361 0.00 0.00 +0.004 A ATOM 7 C LIG 1 0.344 -4.887 -2.012 0.00 0.00 +0.046 A BRANCH 2 9 ATOM 8 C LIG 1 -0.458 -4.431 0.653 0.00 0.00 +0.277 C ATOM 9 O LIG 1 0.364 -3.474 -0.007 0.00 0.00 -0.495 OA ENDBRANCH 2 9 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C LIG 1 0.583 -0.383 -1.397 0.00 0.00 +0.240 C ATOM 11 N LIG 1 -0.405 -0.602 -0.455 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -0.345 -1.436 0.119 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 0.562 0.507 -2.245 0.00 0.00 -0.273 OA BRANCH 11 14 ATOM 14 C LIG 1 -1.586 0.104 -0.248 0.00 0.00 +0.125 A ATOM 15 N LIG 1 -2.366 -0.430 0.716 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 -3.538 0.199 0.989 0.00 0.00 +0.121 A ATOM 17 C LIG 1 -3.989 1.349 0.350 0.00 0.00 +0.003 A ATOM 18 C LIG 1 -3.156 1.877 -0.635 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -1.942 1.252 -0.939 0.00 0.00 +0.044 A BRANCH 17 20 ATOM 20 C LIG 1 -5.250 1.982 0.686 0.00 0.00 +0.021 A ATOM 21 C LIG 1 -6.337 1.351 1.259 0.00 0.00 +0.116 A ATOM 22 N LIG 1 -7.309 2.302 1.390 0.00 0.00 -0.274 N ATOM 23 C LIG 1 -8.634 2.123 1.933 0.00 0.00 +0.172 C ATOM 24 N LIG 1 -6.936 3.514 0.946 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 -5.687 3.317 0.515 0.00 0.00 +0.143 A ENDBRANCH 17 20 ENDBRANCH 11 14 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 3.055 -0.853 -1.719 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 3.754 -1.590 -1.645 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.512 0.335 -0.989 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 3.940 0.065 0.462 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 4.505 1.302 1.119 0.00 0.00 -0.046 A ATOM 31 C LIG 1 3.649 2.257 1.685 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.168 3.410 2.279 0.00 0.00 +0.019 A ATOM 33 C LIG 1 5.549 3.622 2.310 0.00 0.00 +0.052 A ATOM 34 C LIG 1 6.408 2.676 1.742 0.00 0.00 +0.019 A ATOM 35 C LIG 1 5.888 1.524 1.147 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 6.083 4.803 2.921 0.00 0.00 +0.099 C ATOM 37 N LIG 1 6.517 5.759 3.418 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10