REMARK Name = BDB023912 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.369 -4.149 1.581 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -3.941 -3.681 1.693 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -3.584 -2.538 0.989 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -2.153 -2.176 1.040 0.00 0.00 +0.146 C ATOM 5 C LIG 1 -1.925 -0.799 0.525 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -0.747 -0.026 0.405 0.00 0.00 +0.100 A ATOM 7 N LIG 1 -0.997 1.161 -0.165 0.00 0.00 -0.170 NA ATOM 8 N LIG 1 -2.325 1.165 -0.397 0.00 0.00 -0.262 N ATOM 9 C LIG 1 -2.917 -0.006 -0.020 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -4.337 -0.420 -0.137 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -4.401 -1.960 -0.100 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -3.142 -4.300 2.398 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 0.602 -0.439 0.815 0.00 0.00 +0.027 A ATOM 14 C LIG 1 1.819 -0.010 0.193 0.00 0.00 +0.009 A ATOM 15 C LIG 1 2.870 -0.627 0.876 0.00 0.00 +0.048 A ATOM 16 C LIG 1 4.218 -0.440 0.533 0.00 0.00 +0.034 A ATOM 17 C LIG 1 4.523 0.405 -0.547 0.00 0.00 -0.013 A ATOM 18 C LIG 1 3.486 1.030 -1.248 0.00 0.00 +0.009 A ATOM 19 N LIG 1 2.312 -1.393 1.873 0.00 0.00 -0.360 N ATOM 20 H LIG 1 2.840 -1.948 2.532 0.00 0.00 +0.165 HD ATOM 21 C LIG 1 2.144 0.833 -0.891 0.00 0.00 +0.011 A ATOM 22 C LIG 1 0.947 -1.284 1.849 0.00 0.00 +0.093 A BRANCH 17 23 ATOM 23 C LIG 1 5.903 0.626 -0.949 0.00 0.00 +0.020 A ATOM 24 C LIG 1 6.991 0.629 -0.100 0.00 0.00 +0.116 A ATOM 25 N LIG 1 8.083 0.892 -0.876 0.00 0.00 -0.274 N ATOM 26 C LIG 1 9.453 1.004 -0.438 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.789 1.063 -2.176 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.463 0.905 -2.218 0.00 0.00 +0.142 A ENDBRANCH 17 23 ENDBRANCH 6 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.900 2.344 -1.014 0.00 0.00 +0.135 C ATOM 30 C LIG 1 -3.524 2.079 -2.380 0.00 0.00 +0.186 C ATOM 31 O LIG 1 -4.894 2.510 -2.306 0.00 0.00 -0.378 OA ATOM 32 C LIG 1 -4.961 3.489 -1.265 0.00 0.00 +0.162 C ATOM 33 C LIG 1 -4.001 3.009 -0.203 0.00 0.00 +0.057 C ENDBRANCH 8 29 TORSDOF 3