REMARK Name = BDB036727 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.849 -0.416 0.428 0.00 0.00 +0.150 A ATOM 2 C LIG 1 1.485 -0.322 0.124 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.557 0.022 -0.951 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -0.763 -0.177 -0.276 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -0.657 -0.642 1.164 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -1.251 -2.037 1.376 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -1.205 0.382 2.164 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.872 -0.036 -1.074 0.00 0.00 +0.303 C ATOM 9 N LIG 1 -3.076 -0.260 -0.471 0.00 0.00 -0.295 N ATOM 10 H LIG 1 -3.141 0.108 0.461 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -1.785 0.254 -2.266 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 0.819 -0.683 1.251 0.00 0.00 +0.066 A ATOM 13 N LIG 1 1.744 -0.983 2.181 0.00 0.00 -0.277 N ATOM 14 H LIG 1 1.627 -1.291 3.142 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 2.998 -0.818 1.705 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 16 ATOM 16 N LIG 1 3.806 -0.126 -0.484 0.00 0.00 -0.298 N ATOM 17 H LIG 1 3.493 0.128 -1.414 0.00 0.00 +0.154 HD BRANCH 16 21 ATOM 18 C LIG 1 8.057 -0.054 -0.352 0.00 0.00 +0.034 A ATOM 19 C LIG 1 7.326 -0.372 0.796 0.00 0.00 +0.025 A ATOM 20 C LIG 1 5.925 -0.400 0.771 0.00 0.00 +0.025 A ATOM 21 C LIG 1 5.215 -0.115 -0.396 0.00 0.00 +0.033 A ATOM 22 C LIG 1 5.960 0.200 -1.544 0.00 0.00 +0.025 A ATOM 23 C LIG 1 7.362 0.230 -1.525 0.00 0.00 +0.025 A BRANCH 18 25 ATOM 24 C LIG 1 10.374 0.300 -1.213 0.00 0.00 +0.241 C ATOM 25 N LIG 1 9.462 -0.051 -0.244 0.00 0.00 -0.282 N ATOM 26 H LIG 1 9.832 -0.290 0.665 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 10.148 0.744 -2.331 0.00 0.00 -0.271 OA BRANCH 24 29 ATOM 28 C LIG 1 12.267 -0.799 0.015 0.00 0.00 +0.013 C ATOM 29 C LIG 1 11.794 0.172 -0.777 0.00 0.00 +0.060 C ENDBRANCH 24 29 ENDBRANCH 18 25 ENDBRANCH 16 21 ENDBRANCH 1 16 BRANCH 9 30 ATOM 30 C LIG 1 -4.330 -0.097 -1.212 0.00 0.00 +0.092 C BRANCH 30 31 ATOM 31 C LIG 1 -5.413 -1.037 -0.613 0.00 0.00 +0.015 C ATOM 32 C LIG 1 -5.806 -0.750 0.842 0.00 0.00 +0.033 C ATOM 33 C LIG 1 -6.917 -1.694 1.295 0.00 0.00 +0.160 C ATOM 34 O LIG 1 -8.018 -1.804 0.392 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -7.955 -0.935 -0.733 0.00 0.00 +0.160 C ATOM 36 C LIG 1 -6.663 -1.147 -1.511 0.00 0.00 +0.033 C ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -4.718 1.409 -1.349 0.00 0.00 +0.106 C BRANCH 37 38 ATOM 38 N LIG 1 -4.742 2.157 -0.067 0.00 0.00 -0.307 NA ATOM 39 C LIG 1 -5.925 3.026 -0.009 0.00 0.00 +0.104 C ATOM 40 C LIG 1 -3.543 2.993 0.078 0.00 0.00 +0.104 C ENDBRANCH 37 38 ENDBRANCH 30 37 ENDBRANCH 9 30 TORSDOF 8