REMARK Name = BDB010338 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.720 -1.748 -0.171 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.570 -1.268 0.445 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.063 -1.905 1.565 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.086 -1.322 2.005 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.288 -0.307 1.198 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.628 -2.978 2.143 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.751 -3.353 1.512 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.281 -0.202 0.260 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.309 -2.809 0.413 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -2.443 -4.520 2.104 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -1.931 -5.096 3.205 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.099 -4.823 3.703 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -2.741 -6.113 3.525 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -2.600 -6.873 4.469 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.762 -6.160 2.607 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.527 -5.089 1.685 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 2.332 0.572 1.224 0.00 0.00 -0.298 N ATOM 18 C LIG 1 3.656 -0.067 0.914 0.00 0.00 +0.080 C ATOM 19 C LIG 1 4.805 0.806 1.451 0.00 0.00 +0.023 C ATOM 20 C LIG 1 4.738 0.946 2.971 0.00 0.00 +0.003 C ATOM 21 C LIG 1 3.304 0.932 3.492 0.00 0.00 +0.019 C ATOM 22 C LIG 1 2.332 1.433 2.432 0.00 0.00 +0.108 C BRANCH 18 23 ATOM 23 C LIG 1 3.784 -0.258 -0.618 0.00 0.00 +0.057 C BRANCH 23 24 ATOM 24 C LIG 1 4.979 -1.079 -1.043 0.00 0.00 -0.046 A ATOM 25 C LIG 1 6.045 -0.484 -1.730 0.00 0.00 +0.004 A ATOM 26 C LIG 1 7.149 -1.246 -2.118 0.00 0.00 +0.000 A ATOM 27 C LIG 1 7.196 -2.607 -1.825 0.00 0.00 +0.000 A ATOM 28 C LIG 1 6.138 -3.210 -1.146 0.00 0.00 +0.000 A ATOM 29 C LIG 1 5.034 -2.450 -0.758 0.00 0.00 +0.004 A ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 30 ATOM 30 N LIG 1 -2.242 -1.179 -1.331 0.00 0.00 -0.324 N ATOM 31 H LIG 1 -1.513 -1.132 -2.036 0.00 0.00 +0.148 HD BRANCH 30 33 ATOM 32 C LIG 1 -3.585 -1.381 -3.341 0.00 0.00 +0.028 C ATOM 33 C LIG 1 -3.501 -1.735 -1.853 0.00 0.00 +0.072 C BRANCH 33 34 ATOM 34 C LIG 1 -4.693 -1.187 -1.054 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -6.152 -1.376 -1.562 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -6.482 -0.033 -0.875 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -4.994 0.340 -1.044 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 1 30 BRANCH 8 38 ATOM 38 C LIG 1 0.153 0.842 -0.743 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 -0.988 1.843 -0.467 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -1.295 2.689 -1.721 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -0.617 4.055 -1.682 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -1.067 4.892 -0.470 0.00 0.00 -0.014 C ATOM 43 C LIG 1 -2.204 5.846 -0.840 0.00 0.00 +0.007 C ATOM 44 C LIG 1 -1.477 4.019 0.729 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -0.682 2.719 0.762 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 8 38 TORSDOF 9