REMARK Name = BDB011487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.689 2.029 0.109 0.00 0.00 +0.170 C ATOM 2 C LIG 1 -1.705 0.953 0.535 0.00 0.00 +0.241 C ATOM 3 O LIG 1 -2.553 1.206 1.399 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.617 -0.288 -0.098 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.513 -0.675 -0.928 0.00 0.00 +0.052 A ATOM 6 C LIG 1 0.837 -0.464 -0.554 0.00 0.00 +0.051 A ATOM 7 C LIG 1 1.890 -0.884 -1.410 0.00 0.00 +0.049 A ATOM 8 C LIG 1 1.582 -1.484 -2.631 0.00 0.00 +0.024 A ATOM 9 C LIG 1 0.255 -1.689 -3.001 0.00 0.00 +0.004 A ATOM 10 S LIG 1 1.274 0.203 1.070 0.00 0.00 -0.119 S ATOM 11 C LIG 1 -0.782 -1.295 -2.156 0.00 0.00 +0.025 A ATOM 12 C LIG 1 0.600 1.890 0.912 0.00 0.00 +0.106 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -2.080 3.942 -0.626 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -1.292 3.344 0.337 0.00 0.00 -0.302 N ATOM 15 H LIG 1 -1.602 3.566 1.283 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -2.107 3.563 -1.793 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -2.972 5.084 -0.075 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -3.131 6.175 -1.130 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -3.354 6.375 1.962 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -2.396 5.588 1.198 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -1.579 6.163 0.983 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 7 22 ATOM 22 N LIG 1 3.223 -0.698 -0.967 0.00 0.00 -0.280 N ATOM 23 H LIG 1 3.286 -0.291 -0.040 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 4.395 -0.937 -1.653 0.00 0.00 +0.248 C ATOM 25 O LIG 1 4.505 -1.259 -2.829 0.00 0.00 -0.270 OA BRANCH 24 26 ATOM 26 C LIG 1 5.638 -0.719 -0.863 0.00 0.00 +0.040 A ATOM 27 C LIG 1 5.703 -1.002 0.503 0.00 0.00 +0.033 A ATOM 28 C LIG 1 6.902 -0.767 1.152 0.00 0.00 +0.111 A ATOM 29 N LIG 1 8.004 -0.284 0.541 0.00 0.00 -0.263 NA ATOM 30 C LIG 1 7.919 -0.044 -0.785 0.00 0.00 +0.111 A ATOM 31 C LIG 1 6.771 -0.246 -1.526 0.00 0.00 +0.033 A ENDBRANCH 24 26 ENDBRANCH 7 22 BRANCH 4 32 ATOM 32 C LIG 1 -2.662 -1.284 0.182 0.00 0.00 +0.149 C BRANCH 32 33 ATOM 33 C LIG 1 -2.158 -2.454 1.013 0.00 0.00 -0.022 A ATOM 34 C LIG 1 -2.087 -3.794 0.530 0.00 0.00 -0.013 A ATOM 35 C LIG 1 -1.578 -4.799 1.395 0.00 0.00 -0.018 A ATOM 36 C LIG 1 -1.482 -6.130 0.959 0.00 0.00 +0.008 A ATOM 37 C LIG 1 -1.886 -6.499 -0.321 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -2.394 -5.537 -1.180 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -1.167 -4.472 2.694 0.00 0.00 +0.008 A ATOM 40 C LIG 1 -1.252 -3.166 3.162 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -2.495 -4.208 -0.761 0.00 0.00 +0.009 A ATOM 42 C LIG 1 -1.743 -2.168 2.330 0.00 0.00 +0.006 A ENDBRANCH 32 33 ENDBRANCH 4 32 TORSDOF 7