REMARK Name = BDB036729 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.142 -2.555 -1.039 0.00 0.00 +0.152 A ATOM 2 C LIG 1 -0.126 -2.009 -0.806 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.813 -0.840 -0.262 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -2.244 -1.200 -0.507 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -2.442 -2.572 -1.110 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -3.137 -3.542 -0.149 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -3.144 -2.504 -2.467 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -3.323 -0.432 -0.116 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -2.996 0.800 0.406 0.00 0.00 -0.292 N ATOM 10 H LIG 1 -2.161 1.231 0.041 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -4.483 -0.822 -0.213 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 -1.016 -2.928 -1.264 0.00 0.00 +0.066 A ATOM 13 N LIG 1 -0.311 -3.968 -1.747 0.00 0.00 -0.277 N ATOM 14 H LIG 1 -0.626 -4.838 -2.164 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 1.018 -3.755 -1.627 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 3.585 -2.487 -0.886 0.00 0.00 +0.249 C ATOM 17 N LIG 1 2.331 -1.935 -0.720 0.00 0.00 -0.265 N ATOM 18 H LIG 1 2.250 -1.037 -0.270 0.00 0.00 +0.157 HD ATOM 19 O LIG 1 3.870 -3.613 -1.271 0.00 0.00 -0.270 OA BRANCH 16 23 ATOM 20 C LIG 1 6.867 0.047 0.283 0.00 0.00 +0.034 A ATOM 21 C LIG 1 5.738 0.604 -0.322 0.00 0.00 +0.024 A ATOM 22 C LIG 1 4.664 -0.207 -0.715 0.00 0.00 +0.015 A ATOM 23 C LIG 1 4.708 -1.587 -0.493 0.00 0.00 +0.037 A ATOM 24 C LIG 1 5.845 -2.152 0.090 0.00 0.00 +0.015 A ATOM 25 C LIG 1 6.915 -1.339 0.478 0.00 0.00 +0.024 A BRANCH 20 27 ATOM 26 C LIG 1 8.142 2.166 0.651 0.00 0.00 +0.241 C ATOM 27 N LIG 1 7.986 0.796 0.705 0.00 0.00 -0.282 N ATOM 28 H LIG 1 8.746 0.258 1.098 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 7.331 2.988 0.244 0.00 0.00 -0.271 OA BRANCH 26 31 ATOM 30 C LIG 1 9.804 3.890 1.223 0.00 0.00 +0.013 C ATOM 31 C LIG 1 9.473 2.593 1.175 0.00 0.00 +0.060 C ENDBRANCH 26 31 ENDBRANCH 20 27 ENDBRANCH 16 23 ENDBRANCH 1 17 BRANCH 9 32 ATOM 32 C LIG 1 -3.999 1.728 0.902 0.00 0.00 +0.049 C ATOM 33 C LIG 1 -3.531 2.684 1.996 0.00 0.00 +0.029 C ATOM 34 C LIG 1 -4.462 1.573 2.346 0.00 0.00 +0.029 C BRANCH 32 35 ATOM 35 C LIG 1 -4.908 2.347 -0.175 0.00 0.00 +0.109 C BRANCH 35 36 ATOM 36 N LIG 1 -6.325 2.479 0.204 0.00 0.00 -0.306 NA ATOM 37 C LIG 1 -6.993 1.172 0.159 0.00 0.00 +0.104 C ATOM 38 C LIG 1 -7.006 3.401 -0.707 0.00 0.00 +0.104 C ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 9 32 TORSDOF 7