REMARK Name = BDB010361 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.160 -1.084 1.291 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.801 -1.082 1.594 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.378 -1.432 2.868 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.976 -1.348 2.996 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.415 -1.007 1.810 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.199 -1.812 3.858 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.475 -1.841 3.474 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.374 -0.830 0.917 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.990 -1.505 2.267 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.473 -2.286 4.473 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.765 -2.358 4.112 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -5.153 -2.143 3.209 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.447 -2.783 5.182 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.651 -2.972 5.234 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.561 -2.972 6.214 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.266 -2.632 5.702 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -2.665 -0.677 0.062 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -2.180 0.149 -0.264 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -4.617 -2.022 -0.520 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -4.118 -0.629 -0.122 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -4.531 0.366 -1.219 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -3.739 0.439 -2.556 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -4.007 1.958 -2.551 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -4.175 1.865 -1.020 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 N LIG 1 2.712 -0.822 1.434 0.00 0.00 -0.300 N ATOM 26 C LIG 1 3.496 -0.075 2.432 0.00 0.00 +0.132 C BRANCH 25 27 ATOM 27 C LIG 1 3.390 -2.077 1.028 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 C LIG 1 4.567 -1.927 0.117 0.00 0.00 +0.007 A ATOM 29 C LIG 1 4.843 -0.924 -0.792 0.00 0.00 +0.113 A ATOM 30 N LIG 1 6.030 -1.249 -1.377 0.00 0.00 -0.274 N ATOM 31 C LIG 1 6.737 -0.499 -2.386 0.00 0.00 +0.172 C ATOM 32 N LIG 1 6.550 -2.403 -0.923 0.00 0.00 -0.180 NA ATOM 33 C LIG 1 5.662 -2.812 -0.014 0.00 0.00 +0.139 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 34 ATOM 34 C LIG 1 0.540 -0.538 -0.496 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 0.978 0.905 -0.812 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.057 1.956 -0.407 0.00 0.00 +0.005 C ATOM 37 C LIG 1 0.476 3.378 -0.612 0.00 0.00 +0.003 C ATOM 38 C LIG 1 1.303 3.561 -1.898 0.00 0.00 -0.014 C ATOM 39 C LIG 1 2.795 3.723 -1.589 0.00 0.00 +0.007 C ATOM 40 C LIG 1 1.057 2.424 -2.893 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.319 1.032 -2.311 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 9