REMARK Name = BDB026326 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.208 -0.222 1.719 0.00 0.00 -0.294 NA ATOM 2 C LIG 1 0.092 0.020 0.285 0.00 0.00 +0.103 C ATOM 3 C LIG 1 1.322 0.924 0.034 0.00 0.00 +0.120 C ATOM 4 N LIG 1 2.537 0.332 0.623 0.00 0.00 -0.326 N ATOM 5 C LIG 1 2.334 -0.568 1.768 0.00 0.00 +0.120 C ATOM 6 C LIG 1 1.031 -0.216 2.526 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.791 0.587 0.098 0.00 0.00 +0.048 A ATOM 8 C LIG 1 4.064 1.668 -0.751 0.00 0.00 +0.134 A ATOM 9 N LIG 1 5.268 1.974 -1.300 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 6.295 1.152 -0.995 0.00 0.00 +0.125 A ATOM 11 C LIG 1 6.158 0.048 -0.167 0.00 0.00 +0.035 A ATOM 12 C LIG 1 4.898 -0.225 0.376 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 7.625 1.488 -1.597 0.00 0.00 +0.262 C ATOM 14 N LIG 1 8.715 1.360 -0.745 0.00 0.00 -0.313 N ATOM 15 H LIG 1 8.536 1.319 0.249 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 10.020 1.794 -1.176 0.00 0.00 +0.128 C ATOM 17 O LIG 1 7.726 1.862 -2.760 0.00 0.00 -0.269 OA ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 -0.950 -1.488 1.889 0.00 0.00 +0.140 C BRANCH 18 28 ATOM 19 C LIG 1 -7.043 -0.714 -0.315 0.00 0.00 +0.017 A ATOM 20 C LIG 1 -6.806 0.235 0.822 0.00 0.00 +0.252 A ATOM 21 O LIG 1 -7.678 1.002 1.218 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 -5.567 0.209 1.406 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -5.428 0.860 2.167 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 -4.538 -0.652 1.008 0.00 0.00 +0.052 A ATOM 25 C LIG 1 -4.765 -1.540 -0.041 0.00 0.00 +0.017 A ATOM 26 C LIG 1 -3.719 -2.373 -0.404 0.00 0.00 +0.121 A ATOM 27 N LIG 1 -2.506 -2.370 0.199 0.00 0.00 -0.258 NA ATOM 28 C LIG 1 -2.316 -1.496 1.222 0.00 0.00 +0.057 A ATOM 29 C LIG 1 -3.308 -0.620 1.653 0.00 0.00 +0.051 A ATOM 30 C LIG 1 -6.067 -1.555 -0.702 0.00 0.00 +0.020 A BRANCH 19 32 ATOM 31 C LIG 1 -8.572 0.461 -1.927 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -8.407 -0.695 -0.950 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 5