REMARK Name = BDB010325 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.957 -1.608 0.862 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.052 -0.917 0.074 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -1.161 -0.912 0.734 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.874 -1.530 1.941 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -1.768 -1.737 2.921 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.986 -1.295 2.586 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -3.364 -0.696 1.443 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -2.459 -0.472 0.470 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.427 -1.919 2.021 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.031 -1.493 3.615 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.708 -2.103 4.768 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.805 -2.459 5.033 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.822 -2.151 5.509 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -4.921 -2.633 6.625 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.841 -1.563 4.800 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.275 -1.141 3.553 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 3.261 -2.017 1.515 0.00 0.00 +0.102 C ATOM 18 N LIG 1 2.226 -1.870 0.448 0.00 0.00 -0.296 N ATOM 19 C LIG 1 2.384 -2.989 -0.497 0.00 0.00 +0.108 C ATOM 20 C LIG 1 3.854 -3.356 -0.400 0.00 0.00 +0.021 C ATOM 21 C LIG 1 4.123 -3.215 1.085 0.00 0.00 +0.026 C BRANCH 17 22 ATOM 22 C LIG 1 4.074 -0.717 1.672 0.00 0.00 +0.182 C BRANCH 22 23 ATOM 23 O LIG 1 4.858 -0.441 0.504 0.00 0.00 -0.378 OA BRANCH 23 25 ATOM 24 C LIG 1 6.839 0.660 1.386 0.00 0.00 +0.034 C ATOM 25 C LIG 1 5.561 0.796 0.578 0.00 0.00 +0.156 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 17 22 ENDBRANCH 1 18 BRANCH 8 26 ATOM 26 N LIG 1 -2.843 0.130 -0.714 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -2.103 0.631 -1.183 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.157 0.761 -0.894 0.00 0.00 +0.072 C ATOM 29 C LIG 1 -4.334 1.962 0.035 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 -5.341 -0.212 -0.781 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -5.331 -1.439 -1.738 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -6.213 -0.630 -2.705 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -6.650 0.222 -1.500 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 0.342 -0.280 -1.199 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 0.513 1.252 -1.103 0.00 0.00 +0.009 C ATOM 36 C LIG 1 0.485 1.895 -2.506 0.00 0.00 +0.005 C ATOM 37 C LIG 1 1.886 2.124 -3.067 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.722 3.062 -2.178 0.00 0.00 -0.014 C ATOM 39 C LIG 1 2.681 4.503 -2.689 0.00 0.00 +0.007 C ATOM 40 C LIG 1 2.292 3.012 -0.702 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.790 1.624 -0.324 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 10