REMARK Name = BDB017449 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.041 -0.573 1.208 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.434 -0.760 2.463 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.037 -0.705 2.550 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.212 -0.496 1.454 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.121 -0.526 1.977 0.00 0.00 +0.100 A ATOM 6 N LIG 1 0.109 -0.710 3.310 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.812 -0.307 0.196 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.191 -0.818 3.617 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.442 -0.964 4.587 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.212 -0.355 0.094 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -9.235 -0.278 -1.782 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -8.349 -0.506 -0.722 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -7.429 0.483 -0.394 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -6.354 0.573 0.652 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -5.541 -0.648 1.036 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.774 1.957 0.465 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.427 2.525 -0.616 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.231 3.460 -0.936 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -4.923 2.481 1.163 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -6.490 -0.010 2.029 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -7.413 1.679 -1.127 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -8.270 1.936 -2.173 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -9.188 0.936 -2.497 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -10.290 -2.399 -1.547 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -10.193 -1.152 -2.224 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.385 -0.379 1.255 0.00 0.00 +0.003 A ATOM 27 C LIG 1 1.589 -0.992 0.017 0.00 0.00 +0.012 A ATOM 28 C LIG 1 2.805 -0.835 -0.659 0.00 0.00 +0.024 A ATOM 29 C LIG 1 3.856 -0.069 -0.127 0.00 0.00 +0.030 A ATOM 30 C LIG 1 3.641 0.528 1.121 0.00 0.00 +0.024 A ATOM 31 C LIG 1 2.427 0.374 1.806 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 5.050 0.048 -0.851 0.00 0.00 -0.327 N ATOM 33 C LIG 1 5.945 1.197 -0.606 0.00 0.00 +0.120 C ATOM 34 C LIG 1 7.208 0.784 0.183 0.00 0.00 +0.103 C ATOM 35 N LIG 1 8.011 -0.285 -0.449 0.00 0.00 -0.297 NA ATOM 36 C LIG 1 7.223 -1.052 -1.437 0.00 0.00 +0.103 C ATOM 37 C LIG 1 5.748 -1.252 -1.019 0.00 0.00 +0.120 C BRANCH 35 38 ATOM 38 C LIG 1 9.336 0.106 -0.954 0.00 0.00 +0.051 C ATOM 39 C LIG 1 10.287 0.385 0.217 0.00 0.00 +0.024 C ATOM 40 C LIG 1 9.340 1.286 -1.934 0.00 0.00 +0.024 C ENDBRANCH 35 38 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 5