REMARK Name = BDB041106 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.674 -0.206 3.321 0.00 0.00 +0.178 A ATOM 2 C LIG 1 -1.018 -0.769 2.224 0.00 0.00 +0.165 A ATOM 3 N LIG 1 -1.471 -0.607 0.967 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 -2.588 0.122 0.791 0.00 0.00 +0.162 A ATOM 5 N LIG 1 -3.292 0.698 1.781 0.00 0.00 -0.232 NA ATOM 6 C LIG 1 -2.814 0.513 3.028 0.00 0.00 +0.162 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.019 0.357 -0.597 0.00 0.00 +0.023 A ATOM 8 C LIG 1 -4.339 0.131 -1.067 0.00 0.00 -0.034 A ATOM 9 C LIG 1 -4.647 0.450 -2.409 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -3.678 0.942 -3.282 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -2.379 1.133 -2.836 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -2.057 0.846 -1.511 0.00 0.00 +0.012 A BRANCH 8 13 ATOM 13 C LIG 1 -5.433 -0.445 -0.171 0.00 0.00 +0.014 C ATOM 14 C LIG 1 -6.429 0.643 0.238 0.00 0.00 +0.012 C ATOM 15 C LIG 1 -6.165 -1.631 -0.814 0.00 0.00 +0.012 C ENDBRANCH 8 13 ENDBRANCH 4 7 BRANCH 1 17 ATOM 16 C LIG 1 -1.708 0.318 5.636 0.00 0.00 +0.277 C ATOM 17 O LIG 1 -1.158 -0.442 4.566 0.00 0.00 -0.490 OA ENDBRANCH 1 17 BRANCH 2 18 ATOM 18 N LIG 1 0.194 -1.458 2.445 0.00 0.00 -0.322 N ATOM 19 H LIG 1 0.082 -2.032 3.275 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 0.732 -2.198 1.311 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 C LIG 1 1.540 -1.316 0.385 0.00 0.00 -0.030 A ATOM 22 C LIG 1 2.623 -0.568 0.867 0.00 0.00 +0.009 A ATOM 23 C LIG 1 3.381 0.236 0.007 0.00 0.00 +0.046 A ATOM 24 C LIG 1 3.064 0.304 -1.349 0.00 0.00 +0.121 A ATOM 25 C LIG 1 1.992 -0.446 -1.836 0.00 0.00 +0.046 A ATOM 26 C LIG 1 1.234 -1.249 -0.979 0.00 0.00 +0.009 A BRANCH 24 27 ATOM 27 O LIG 1 3.718 1.041 -2.298 0.00 0.00 -0.486 OA BRANCH 27 28 ATOM 28 C LIG 1 4.704 1.982 -1.859 0.00 0.00 +0.284 C BRANCH 28 29 ATOM 29 C LIG 1 6.066 1.361 -1.635 0.00 0.00 +0.078 A ATOM 30 N LIG 1 6.758 1.764 -0.537 0.00 0.00 -0.256 NA ATOM 31 C LIG 1 7.982 1.225 -0.341 0.00 0.00 +0.111 A ATOM 32 C LIG 1 8.563 0.302 -1.193 0.00 0.00 +0.020 A ATOM 33 C LIG 1 7.850 -0.094 -2.317 0.00 0.00 +0.003 A ATOM 34 C LIG 1 6.586 0.443 -2.546 0.00 0.00 +0.027 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 2 18 TORSDOF 9