REMARK Name = BDB031828 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.859 0.660 0.846 0.00 0.00 +0.154 A ATOM 2 C LIG 1 -0.637 -0.001 1.196 0.00 0.00 +0.041 A ATOM 3 C LIG 1 0.048 0.901 2.000 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.307 0.637 2.553 0.00 0.00 +0.031 A ATOM 5 C LIG 1 1.920 -0.599 2.274 0.00 0.00 -0.041 A ATOM 6 C LIG 1 1.223 -1.525 1.478 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -0.773 1.989 2.084 0.00 0.00 -0.275 N ATOM 8 H LIG 1 -0.607 2.850 2.590 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -0.039 -1.246 0.930 0.00 0.00 +0.014 A ATOM 10 N LIG 1 -1.923 1.868 1.413 0.00 0.00 -0.157 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 3.275 -0.948 2.848 0.00 0.00 +0.040 C ATOM 12 C LIG 1 4.488 -1.184 1.971 0.00 0.00 +0.081 C ATOM 13 C LIG 1 4.524 -1.107 0.471 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.387 -2.112 0.012 0.00 0.00 +0.038 A ATOM 15 C LIG 1 5.660 -2.327 -1.322 0.00 0.00 +0.027 A ATOM 16 C LIG 1 5.037 -1.486 -2.250 0.00 0.00 +0.047 A ATOM 17 C LIG 1 4.172 -0.461 -1.825 0.00 0.00 +0.120 A ATOM 18 N LIG 1 5.909 -2.813 1.101 0.00 0.00 -0.284 N ATOM 19 H LIG 1 6.567 -3.574 1.050 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 3.920 -0.271 -0.458 0.00 0.00 +0.052 A ATOM 21 C LIG 1 5.436 -2.314 2.302 0.00 0.00 +0.228 C ATOM 22 O LIG 1 5.714 -2.697 3.425 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 4.414 0.052 2.821 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 3.518 0.420 -2.643 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 3.712 0.271 -4.044 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 26 ATOM 26 N LIG 1 -2.788 0.061 0.066 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -2.588 -0.854 -0.318 0.00 0.00 +0.155 HD BRANCH 26 30 ATOM 28 C LIG 1 -5.329 2.359 -1.103 0.00 0.00 +0.131 A ATOM 29 N LIG 1 -4.202 1.919 -0.522 0.00 0.00 -0.213 NA ATOM 30 C LIG 1 -3.940 0.598 -0.561 0.00 0.00 +0.170 A ATOM 31 C LIG 1 -4.811 -0.300 -1.184 0.00 0.00 +0.178 A ATOM 32 C LIG 1 -5.940 0.257 -1.750 0.00 0.00 +0.162 A ATOM 33 N LIG 1 -6.226 1.573 -1.725 0.00 0.00 -0.237 NA BRANCH 28 35 ATOM 34 C LIG 1 -6.383 4.169 0.251 0.00 0.00 +0.012 C ATOM 35 C LIG 1 -5.622 3.830 -1.020 0.00 0.00 +0.073 C ENDBRANCH 28 35 BRANCH 31 36 ATOM 36 O LIG 1 -4.460 -1.624 -1.190 0.00 0.00 -0.490 OA ATOM 37 C LIG 1 -5.414 -2.531 -1.730 0.00 0.00 +0.277 C ENDBRANCH 31 36 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 6