REMARK Name = BDB010373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.458 -1.183 0.213 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.278 -0.908 -0.458 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -0.725 -1.649 0.135 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.089 -2.255 1.207 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.691 -3.072 2.086 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -1.984 -3.255 1.794 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.686 -2.727 0.775 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -2.079 -1.891 -0.092 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.232 -1.940 1.261 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.717 -4.146 2.721 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.056 -4.712 3.745 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.081 -4.602 3.973 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -2.943 -5.457 4.417 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -2.712 -6.122 5.413 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.163 -5.346 3.796 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.970 -4.469 2.679 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 3.658 -0.427 0.897 0.00 0.00 +0.076 C ATOM 18 N LIG 1 2.669 -0.699 -0.198 0.00 0.00 -0.298 N ATOM 19 C LIG 1 3.251 -1.380 -1.370 0.00 0.00 +0.108 C ATOM 20 C LIG 1 3.822 -2.749 -0.995 0.00 0.00 +0.019 C ATOM 21 C LIG 1 4.557 -2.735 0.343 0.00 0.00 +0.003 C ATOM 22 C LIG 1 4.909 -1.316 0.772 0.00 0.00 +0.022 C BRANCH 17 23 ATOM 23 C LIG 1 3.983 1.085 0.862 0.00 0.00 +0.025 C BRANCH 23 25 ATOM 24 C LIG 1 6.371 1.474 1.729 0.00 0.00 +0.007 C ATOM 25 C LIG 1 4.877 1.683 1.969 0.00 0.00 -0.015 C ATOM 26 C LIG 1 4.479 1.235 3.374 0.00 0.00 +0.007 C ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 1 18 BRANCH 8 27 ATOM 27 N LIG 1 -2.798 -1.356 -1.151 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -2.454 -0.477 -1.501 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.263 -1.450 -1.120 0.00 0.00 +0.072 C ATOM 30 C LIG 1 -4.756 -1.308 -2.562 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 -4.858 -0.392 -0.172 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -6.398 -0.223 -0.108 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -6.259 1.076 -0.921 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -4.771 1.115 -0.535 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 2 35 ATOM 35 C LIG 1 0.119 0.011 -1.573 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -0.533 1.355 -1.181 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -1.051 2.103 -2.428 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -0.068 3.159 -2.923 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.211 4.235 -1.857 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -0.681 5.462 -2.052 0.00 0.00 +0.007 C ATOM 41 C LIG 1 0.065 3.696 -0.424 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.435 2.219 -0.351 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 9