REMARK Name = BDB036385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.971 -1.053 1.163 0.00 0.00 +0.010 A ATOM 2 C LIG 1 -0.719 -1.346 2.507 0.00 0.00 +0.139 A ATOM 3 C LIG 1 0.209 -0.678 3.296 0.00 0.00 +0.021 A ATOM 4 C LIG 1 0.144 -1.290 4.577 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -0.804 -2.280 4.486 0.00 0.00 +0.196 A ATOM 6 C LIG 1 0.954 0.367 2.724 0.00 0.00 +0.016 A ATOM 7 C LIG 1 0.750 0.716 1.372 0.00 0.00 -0.038 A ATOM 8 O LIG 1 -1.330 -2.325 3.236 0.00 0.00 -0.463 OA ATOM 9 C LIG 1 -0.198 -0.003 0.619 0.00 0.00 +0.012 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.998 -1.783 0.331 0.00 0.00 +0.124 C BRANCH 10 20 ATOM 11 C LIG 1 -5.005 0.611 0.182 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -5.771 0.320 -0.999 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -5.388 -0.658 -1.861 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -4.702 -1.836 -1.567 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -4.343 -2.728 -2.538 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 -4.709 -2.463 -3.809 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -5.420 -1.340 -4.180 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -4.330 -2.237 -0.151 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -5.566 -2.564 0.701 0.00 0.00 +0.031 C ATOM 20 N LIG 1 -3.389 -1.329 0.550 0.00 0.00 -0.286 NA ATOM 21 C LIG 1 -5.763 -0.431 -3.187 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -3.549 0.098 0.203 0.00 0.00 +0.130 C BRANCH 11 24 ATOM 23 C LIG 1 -4.353 2.914 -0.778 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -5.047 2.148 0.342 0.00 0.00 +0.042 C ENDBRANCH 11 24 ENDBRANCH 10 20 ENDBRANCH 1 10 BRANCH 7 25 ATOM 25 C LIG 1 1.598 1.849 0.779 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 3.034 1.376 0.495 0.00 0.00 -0.034 A ATOM 27 C LIG 1 4.161 2.005 1.083 0.00 0.00 -0.017 A ATOM 28 C LIG 1 4.028 3.163 2.034 0.00 0.00 +0.046 C ATOM 29 C LIG 1 5.438 1.503 0.741 0.00 0.00 +0.116 A ATOM 30 N LIG 1 6.672 1.933 1.156 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 7.590 1.178 0.579 0.00 0.00 -0.065 NA ATOM 32 N LIG 1 6.952 0.284 -0.196 0.00 0.00 -0.247 N ATOM 33 C LIG 1 7.738 -0.644 -0.964 0.00 0.00 +0.175 C ATOM 34 C LIG 1 5.586 0.426 -0.133 0.00 0.00 +0.092 A ATOM 35 C LIG 1 4.494 -0.237 -0.713 0.00 0.00 -0.017 A ATOM 36 C LIG 1 3.230 0.290 -0.385 0.00 0.00 +0.010 A BRANCH 35 37 ATOM 37 C LIG 1 4.694 -1.407 -1.631 0.00 0.00 +0.021 C ATOM 38 C LIG 1 5.143 -2.739 -1.074 0.00 0.00 +0.009 C ATOM 39 C LIG 1 3.745 -2.586 -1.583 0.00 0.00 +0.009 C ENDBRANCH 35 37 ENDBRANCH 25 26 BRANCH 25 40 ATOM 40 C LIG 1 0.988 2.514 -0.468 0.00 0.00 +0.133 C BRANCH 40 41 ATOM 41 C LIG 1 1.583 3.877 -0.703 0.00 0.00 +0.306 C ATOM 42 O LIG 1 1.118 4.904 -0.233 0.00 0.00 -0.251 OA BRANCH 41 43 ATOM 43 O LIG 1 2.691 3.872 -1.474 0.00 0.00 -0.481 OA ATOM 44 H LIG 1 3.011 2.983 -1.724 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 25 40 ENDBRANCH 7 25 TORSDOF 9