REMARK Name = BDB010435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.599 -3.413 1.919 0.00 0.00 +0.199 A ATOM 2 N LIG 1 -0.284 -3.215 2.020 0.00 0.00 -0.203 NA ATOM 3 C LIG 1 0.181 -2.375 1.084 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.492 -2.039 0.976 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 1.588 -1.241 -0.076 0.00 0.00 +0.162 A ATOM 6 N LIG 1 0.319 -1.006 -0.605 0.00 0.00 -0.318 N ATOM 7 C LIG 1 -0.596 -1.750 0.123 0.00 0.00 +0.128 A ATOM 8 C LIG 1 -1.972 -1.994 0.096 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -2.437 -2.859 1.021 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.874 -0.700 -0.555 0.00 0.00 +0.106 A ATOM 11 N LIG 1 2.911 -0.199 -1.810 0.00 0.00 -0.252 NA ATOM 12 C LIG 1 4.096 0.278 -2.249 0.00 0.00 +0.112 A ATOM 13 C LIG 1 5.259 0.281 -1.496 0.00 0.00 +0.023 A ATOM 14 C LIG 1 5.222 -0.241 -0.202 0.00 0.00 -0.041 A ATOM 15 C LIG 1 4.001 -0.742 0.266 0.00 0.00 +0.035 A BRANCH 14 16 ATOM 16 C LIG 1 6.476 -0.261 0.650 0.00 0.00 +0.013 C ATOM 17 C LIG 1 6.309 0.581 1.918 0.00 0.00 +0.012 C ATOM 18 C LIG 1 6.898 -1.691 0.997 0.00 0.00 +0.012 C ENDBRANCH 14 16 ENDBRANCH 5 10 BRANCH 1 20 ATOM 19 C LIG 1 -1.278 -5.002 3.897 0.00 0.00 +0.095 C ATOM 20 C LIG 1 -2.215 -4.340 2.920 0.00 0.00 +0.197 C ATOM 21 O LIG 1 -3.427 -4.554 2.958 0.00 0.00 -0.289 OA ENDBRANCH 1 20 BRANCH 8 22 ATOM 22 N LIG 1 -2.858 -1.421 -0.803 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.624 -0.483 -1.089 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -4.294 -1.651 -0.630 0.00 0.00 +0.072 C ATOM 25 C LIG 1 -4.923 -1.706 -2.027 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 -5.000 -0.564 0.190 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -4.407 -0.084 1.547 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -5.011 1.302 1.236 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -4.930 0.926 -0.257 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 6 30 ATOM 30 C LIG 1 0.017 -0.138 -1.730 0.00 0.00 +0.127 C BRANCH 30 31 ATOM 31 C LIG 1 0.121 1.370 -1.421 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -0.770 1.813 -0.244 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -1.318 3.236 -0.381 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -0.350 4.202 -1.068 0.00 0.00 -0.014 C ATOM 35 C LIG 1 0.863 4.505 -0.183 0.00 0.00 +0.007 C ATOM 36 C LIG 1 0.077 3.686 -2.454 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -0.180 2.193 -2.678 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 8