REMARK Name = BDB021075 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.856 -0.206 1.378 0.00 0.00 -0.283 N ATOM 2 C LIG 1 0.564 -0.203 1.224 0.00 0.00 +0.038 A ATOM 3 C LIG 1 1.434 -0.129 2.333 0.00 0.00 -0.025 A ATOM 4 C LIG 1 2.833 -0.112 2.150 0.00 0.00 +0.014 A ATOM 5 C LIG 1 3.399 -0.135 0.871 0.00 0.00 -0.015 A ATOM 6 C LIG 1 2.543 -0.169 -0.230 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.906 -0.104 3.743 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -0.563 0.275 3.775 0.00 0.00 +0.024 C ATOM 9 C LIG 1 1.153 -0.196 -0.053 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -1.305 -0.549 2.738 0.00 0.00 +0.113 C ENDROOT BRANCH 1 20 ATOM 11 C LIG 1 -6.410 3.628 -0.317 0.00 0.00 +0.109 C ATOM 12 C LIG 1 -5.143 3.158 0.349 0.00 0.00 +0.213 C ATOM 13 N LIG 1 -4.671 1.896 0.005 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -3.492 1.431 0.736 0.00 0.00 +0.164 C ATOM 15 C LIG 1 -2.903 0.218 0.118 0.00 0.00 +0.078 A ATOM 16 N LIG 1 -3.462 -0.448 -0.949 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -2.633 -1.482 -1.293 0.00 0.00 +0.115 A ATOM 18 N LIG 1 -1.598 -1.525 -0.479 0.00 0.00 -0.217 NA ATOM 19 C LIG 1 -4.691 -0.012 -1.570 0.00 0.00 +0.142 C ATOM 20 C LIG 1 -1.748 -0.481 0.389 0.00 0.00 +0.149 A ATOM 21 C LIG 1 -5.502 0.866 -0.622 0.00 0.00 +0.129 C ATOM 22 O LIG 1 -4.563 3.885 1.156 0.00 0.00 -0.276 OA BRANCH 17 23 ATOM 23 C LIG 1 -2.734 -2.527 -2.447 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -3.564 -2.333 -3.682 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -3.991 -3.330 -2.640 0.00 0.00 +0.012 C ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 5 26 ATOM 26 C LIG 1 4.843 -0.109 0.707 0.00 0.00 +0.020 A ATOM 27 C LIG 1 5.535 -0.655 -0.355 0.00 0.00 +0.117 A ATOM 28 N LIG 1 6.854 -0.417 -0.108 0.00 0.00 -0.268 N ATOM 29 N LIG 1 7.088 0.224 1.045 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 5.862 0.418 1.538 0.00 0.00 +0.142 A BRANCH 28 31 ATOM 31 C LIG 1 7.947 -0.864 -0.995 0.00 0.00 +0.107 C ATOM 32 C LIG 1 8.059 -0.408 -2.432 0.00 0.00 +0.029 C ATOM 33 C LIG 1 9.061 0.064 -1.420 0.00 0.00 +0.029 C ENDBRANCH 28 31 ENDBRANCH 5 26 TORSDOF 4