REMARK Name = BDB022751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.111 -0.912 -0.881 0.00 0.00 +0.101 A ATOM 2 C LIG 1 1.336 0.239 -0.068 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.295 1.086 -0.405 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -0.485 0.421 -1.302 0.00 0.00 -0.266 N ATOM 5 N LIG 1 0.002 -0.792 -1.630 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 2.382 0.573 0.888 0.00 0.00 +0.248 C ATOM 7 N LIG 1 3.066 -0.486 1.428 0.00 0.00 -0.306 N ATOM 8 H LIG 1 2.851 -1.438 1.145 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 2.623 1.737 1.198 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 4.212 -0.304 2.290 0.00 0.00 +0.160 C BRANCH 10 11 ATOM 11 C LIG 1 5.502 -0.267 1.503 0.00 0.00 +0.062 A ATOM 12 N LIG 1 6.188 -1.429 1.379 0.00 0.00 -0.258 NA ATOM 13 C LIG 1 7.324 -1.399 0.649 0.00 0.00 +0.118 A ATOM 14 C LIG 1 7.822 -0.266 0.017 0.00 0.00 +0.009 A ATOM 15 C LIG 1 9.090 -0.329 -0.778 0.00 0.00 +0.049 C ATOM 16 C LIG 1 7.090 0.920 0.144 0.00 0.00 +0.126 A ATOM 17 C LIG 1 5.918 0.918 0.897 0.00 0.00 +0.070 A BRANCH 16 18 ATOM 18 O LIG 1 7.605 2.012 -0.503 0.00 0.00 -0.495 OA ATOM 19 C LIG 1 6.849 3.217 -0.447 0.00 0.00 +0.277 C ENDBRANCH 16 18 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 20 ATOM 20 C LIG 1 1.944 -2.151 -0.996 0.00 0.00 +0.217 C BRANCH 20 22 ATOM 21 C LIG 1 0.936 -3.609 0.577 0.00 0.00 +0.194 C ATOM 22 O LIG 1 2.090 -2.835 0.260 0.00 0.00 -0.377 OA ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 4 23 ATOM 23 C LIG 1 -1.698 0.919 -1.936 0.00 0.00 +0.178 C BRANCH 23 24 ATOM 24 C LIG 1 -2.893 0.792 -1.024 0.00 0.00 -0.026 A ATOM 25 C LIG 1 -3.472 -0.463 -0.787 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -4.573 -0.588 0.061 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -5.117 0.538 0.695 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -4.538 1.792 0.459 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -3.436 1.918 -0.391 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 -6.314 0.395 1.608 0.00 0.00 +0.160 C BRANCH 30 31 ATOM 31 N LIG 1 -7.559 0.184 0.873 0.00 0.00 -0.311 N ATOM 32 C LIG 1 -8.054 -1.115 0.757 0.00 0.00 +0.252 A ATOM 33 O LIG 1 -7.530 -2.116 1.241 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -9.317 -1.265 -0.017 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -9.908 -0.194 -0.561 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -9.329 1.115 -0.408 0.00 0.00 +0.018 A ATOM 37 C LIG 1 -8.196 1.268 0.288 0.00 0.00 +0.089 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 10