REMARK Name = BDB011505 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.232 -0.238 0.868 0.00 0.00 +0.197 C ATOM 2 C LIG 1 1.797 0.249 0.898 0.00 0.00 +0.244 C ATOM 3 O LIG 1 1.568 1.433 0.601 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.786 -0.645 1.252 0.00 0.00 -0.262 N ATOM 5 C LIG 1 0.954 -2.023 1.685 0.00 0.00 +0.079 A ATOM 6 C LIG 1 2.141 -2.612 2.172 0.00 0.00 +0.142 A ATOM 7 C LIG 1 2.170 -3.980 2.522 0.00 0.00 +0.047 A ATOM 8 C LIG 1 1.048 -4.791 2.426 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -0.132 -4.237 1.972 0.00 0.00 +0.002 A ATOM 10 O LIG 1 3.370 -2.068 2.410 0.00 0.00 -0.488 OA ATOM 11 C LIG 1 -0.172 -2.885 1.612 0.00 0.00 +0.027 A ATOM 12 C LIG 1 3.540 -0.670 2.284 0.00 0.00 +0.261 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 5.364 0.690 -0.008 0.00 0.00 +0.230 C ATOM 14 N LIG 1 4.071 0.876 0.416 0.00 0.00 -0.300 N ATOM 15 H LIG 1 3.577 1.743 0.222 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 5.931 -0.396 0.110 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 6.075 1.959 -0.552 0.00 0.00 +0.137 C ATOM 18 C LIG 1 5.255 2.699 -1.609 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 7.501 0.952 -2.299 0.00 0.00 +0.101 C ATOM 20 N LIG 1 7.449 1.629 -1.007 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 7.839 0.986 -0.310 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.574 -0.101 1.106 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 -1.326 -0.316 -0.213 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.720 0.043 -0.254 0.00 0.00 -0.010 A ATOM 25 C LIG 1 -3.453 -0.157 -1.455 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -4.816 0.169 -1.530 0.00 0.00 +0.021 A ATOM 27 C LIG 1 -5.476 0.723 -0.433 0.00 0.00 +0.037 A ATOM 28 C LIG 1 -4.792 0.919 0.762 0.00 0.00 +0.013 A ATOM 29 C LIG 1 -2.817 -0.675 -2.584 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -1.465 -0.995 -2.553 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -3.435 0.592 0.843 0.00 0.00 +0.010 A ATOM 32 C LIG 1 -0.722 -0.835 -1.381 0.00 0.00 +0.125 A BRANCH 27 33 ATOM 33 C LIG 1 -6.920 1.029 -0.543 0.00 0.00 +0.246 C ATOM 34 N LIG 1 -7.372 2.297 -0.180 0.00 0.00 -0.304 N ATOM 35 C LIG 1 -8.806 2.528 -0.157 0.00 0.00 +0.132 C ATOM 36 C LIG 1 -6.534 3.486 -0.116 0.00 0.00 +0.132 C ATOM 37 O LIG 1 -7.659 0.130 -0.937 0.00 0.00 -0.270 OA ENDBRANCH 27 33 BRANCH 32 38 ATOM 38 O LIG 1 0.620 -1.115 -1.377 0.00 0.00 -0.495 OA ATOM 39 C LIG 1 0.979 -2.340 -2.015 0.00 0.00 +0.277 C ENDBRANCH 32 38 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7