REMARK Name = BDB010410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.793 -1.125 0.651 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.584 -0.473 0.466 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.421 -1.382 0.724 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.258 -2.574 0.921 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.333 -3.758 1.145 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 1.668 -3.658 1.151 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.416 -2.551 0.989 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.813 -1.362 0.786 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.607 -2.404 0.877 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -3.769 -1.598 -1.578 0.00 0.00 +0.030 C ATOM 11 C LIG 1 -4.070 -1.333 -0.102 0.00 0.00 +0.099 C ATOM 12 N LIG 1 -2.995 -0.489 0.534 0.00 0.00 -0.291 N ATOM 13 C LIG 1 -3.515 0.258 1.741 0.00 0.00 +0.099 C ATOM 14 C LIG 1 -2.515 0.451 2.885 0.00 0.00 +0.030 C ATOM 15 C LIG 1 -4.788 -0.417 2.304 0.00 0.00 +0.182 C ATOM 16 O LIG 1 -5.872 -0.443 1.368 0.00 0.00 -0.376 OA ATOM 17 C LIG 1 -5.434 -0.619 0.015 0.00 0.00 +0.182 C ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 2.392 -4.927 1.384 0.00 0.00 +0.220 A ATOM 19 N LIG 1 1.691 -6.062 1.542 0.00 0.00 -0.269 N ATOM 20 H LIG 1 0.690 -6.166 1.521 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 2.579 -7.045 1.738 0.00 0.00 +0.440 A ATOM 22 O LIG 1 2.318 -8.223 1.922 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 3.841 -6.504 1.699 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 3.672 -5.100 1.464 0.00 0.00 -0.051 NA ENDBRANCH 6 18 BRANCH 8 25 ATOM 25 N LIG 1 2.574 -0.207 0.650 0.00 0.00 -0.324 N ATOM 26 H LIG 1 2.126 0.608 1.044 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 4.008 -0.287 0.947 0.00 0.00 +0.072 C ATOM 28 C LIG 1 4.235 -0.201 2.459 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 4.783 0.848 0.263 0.00 0.00 +0.009 C ATOM 30 C LIG 1 4.603 1.038 -1.269 0.00 0.00 +0.005 C ATOM 31 C LIG 1 4.822 2.548 -1.033 0.00 0.00 +0.001 C ATOM 32 C LIG 1 4.320 2.327 0.409 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 -0.414 0.918 0.074 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 0.143 1.125 -1.352 0.00 0.00 +0.009 C ATOM 35 C LIG 1 0.709 2.551 -1.527 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -0.160 3.486 -2.372 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -1.649 3.254 -2.121 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -2.504 4.266 -2.881 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -2.055 1.815 -2.480 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.894 0.817 -2.438 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 7