REMARK Name = BDB007165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.154 -1.959 -0.460 0.00 0.00 -0.339 N ATOM 2 C LIG 1 -0.832 -1.966 -0.874 0.00 0.00 +0.050 A ATOM 3 C LIG 1 -0.056 -2.291 0.241 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.347 -2.360 0.096 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.938 -2.097 -1.148 0.00 0.00 +0.037 A ATOM 6 C LIG 1 1.139 -1.793 -2.252 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.943 -2.493 1.343 0.00 0.00 -0.022 A ATOM 8 C LIG 1 -0.556 -2.857 2.735 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.253 -1.716 -2.131 0.00 0.00 +0.027 A ATOM 10 C LIG 1 -2.235 -2.294 0.879 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.527 -2.383 1.620 0.00 0.00 +0.064 C ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 3.423 -2.177 -1.249 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.008 -1.399 -2.228 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.458 -0.652 -2.626 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 4.056 -2.883 -0.472 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.452 -1.243 -2.314 0.00 0.00 +0.100 C ATOM 17 C LIG 1 5.902 -1.427 -3.764 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.847 0.088 -1.693 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.056 0.148 -0.302 0.00 0.00 +0.009 A ATOM 20 C LIG 1 6.393 1.349 0.343 0.00 0.00 -0.044 A ATOM 21 C LIG 1 6.511 2.511 -0.430 0.00 0.00 +0.004 A ATOM 22 C LIG 1 6.293 2.473 -1.806 0.00 0.00 +0.001 A ATOM 23 C LIG 1 5.957 1.273 -2.434 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 6.625 1.410 1.842 0.00 0.00 +0.013 C ATOM 25 C LIG 1 5.368 1.018 2.624 0.00 0.00 +0.012 C ATOM 26 C LIG 1 7.818 0.547 2.259 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 5 12 BRANCH 1 27 ATOM 27 C LIG 1 -3.296 -1.675 -1.330 0.00 0.00 +0.157 C BRANCH 27 31 ATOM 28 C LIG 1 -5.060 2.232 -0.640 0.00 0.00 +0.162 A ATOM 29 C LIG 1 -5.833 1.064 -0.588 0.00 0.00 +0.163 A ATOM 30 C LIG 1 -5.267 -0.189 -0.834 0.00 0.00 +0.054 A ATOM 31 C LIG 1 -3.895 -0.312 -1.078 0.00 0.00 -0.024 A ATOM 32 C LIG 1 -3.118 0.855 -1.116 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -3.694 2.114 -0.900 0.00 0.00 +0.050 A BRANCH 28 35 ATOM 34 C LIG 1 -4.963 4.610 -0.502 0.00 0.00 +0.277 C ATOM 35 O LIG 1 -5.724 3.412 -0.432 0.00 0.00 -0.491 OA ENDBRANCH 28 35 BRANCH 29 36 ATOM 36 O LIG 1 -7.188 1.094 -0.365 0.00 0.00 -0.474 OA BRANCH 36 37 ATOM 37 C LIG 1 -7.498 1.377 1.006 0.00 0.00 +0.278 C ATOM 38 C LIG 1 -8.801 2.168 1.009 0.00 0.00 +0.064 C BRANCH 37 39 ATOM 39 C LIG 1 -7.666 0.090 1.814 0.00 0.00 +0.346 C ATOM 40 O LIG 1 -7.541 -1.062 1.425 0.00 0.00 -0.247 OA BRANCH 39 41 ATOM 41 O LIG 1 -7.955 0.323 3.114 0.00 0.00 -0.478 OA ATOM 42 H LIG 1 -8.015 -0.575 3.503 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 29 36 ENDBRANCH 27 31 ENDBRANCH 1 27 TORSDOF 11