REMARK Name = BDB024246 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.769 1.234 -0.231 0.00 0.00 +0.172 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 -1.901 5.041 -0.536 0.00 0.00 +0.120 A ATOM 3 C LIG 1 -1.961 3.744 -0.022 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -1.718 2.627 -0.845 0.00 0.00 -0.018 A ATOM 5 C LIG 1 -1.389 2.842 -2.192 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -1.337 4.135 -2.711 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -1.597 5.227 -1.885 0.00 0.00 +0.045 A BRANCH 2 9 ATOM 8 C LIG 1 -2.257 6.072 1.575 0.00 0.00 +0.277 C ATOM 9 O LIG 1 -2.119 6.195 0.165 0.00 0.00 -0.495 OA ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 10 ATOM 10 C LIG 1 -0.396 0.890 0.416 0.00 0.00 +0.240 C ATOM 11 N LIG 1 0.453 0.262 -0.478 0.00 0.00 -0.269 N ATOM 12 H LIG 1 0.066 0.116 -1.403 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 -0.168 1.182 1.587 0.00 0.00 -0.273 OA BRANCH 11 14 ATOM 14 C LIG 1 1.746 -0.187 -0.215 0.00 0.00 +0.125 A ATOM 15 N LIG 1 2.287 -0.051 1.005 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 3.549 -0.510 1.196 0.00 0.00 +0.121 A ATOM 17 C LIG 1 4.324 -1.118 0.215 0.00 0.00 +0.003 A ATOM 18 C LIG 1 3.739 -1.252 -1.044 0.00 0.00 +0.013 A ATOM 19 C LIG 1 2.440 -0.784 -1.262 0.00 0.00 +0.044 A BRANCH 17 20 ATOM 20 C LIG 1 5.671 -1.577 0.498 0.00 0.00 +0.021 A ATOM 21 C LIG 1 6.340 -2.571 -0.189 0.00 0.00 +0.116 A ATOM 22 N LIG 1 7.562 -2.696 0.408 0.00 0.00 -0.274 N ATOM 23 C LIG 1 8.616 -3.613 0.047 0.00 0.00 +0.172 C ATOM 24 N LIG 1 7.743 -1.854 1.438 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 6.594 -1.176 1.494 0.00 0.00 +0.143 A ENDBRANCH 17 20 ENDBRANCH 11 14 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 -2.136 0.152 -1.195 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -1.999 -0.739 -0.708 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.553 0.206 -1.601 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.582 -0.174 -0.517 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -4.362 -1.550 0.071 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -3.802 -1.698 1.347 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -3.577 -2.970 1.879 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -3.913 -4.109 1.142 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -4.475 -3.968 -0.131 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.697 -2.696 -0.664 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -3.684 -5.415 1.686 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -3.500 -6.476 2.120 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10