REMARK Name = BDB010786 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.612 -2.368 -0.740 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.333 -1.871 -0.995 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.704 -2.757 -1.243 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.871 -2.114 -1.508 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 -1.594 -0.826 -1.442 0.00 0.00 +0.116 A ATOM 6 N LIG 1 -0.587 -4.094 -1.251 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 0.676 -4.483 -1.009 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.259 -0.628 -1.116 0.00 0.00 -0.323 N ATOM 9 N LIG 1 1.750 -3.708 -0.768 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.598 0.269 -1.748 0.00 0.00 +0.063 C ATOM 11 C LIG 1 -3.942 0.037 -0.997 0.00 0.00 +0.029 C ATOM 12 C LIG 1 -5.040 1.009 -1.482 0.00 0.00 +0.009 C ATOM 13 C LIG 1 -5.213 0.971 -2.996 0.00 0.00 +0.001 C ATOM 14 C LIG 1 -3.898 1.284 -3.697 0.00 0.00 +0.001 C ATOM 15 C LIG 1 -2.807 0.308 -3.276 0.00 0.00 +0.012 C BRANCH 11 16 ATOM 16 C LIG 1 -3.773 0.101 0.520 0.00 0.00 -0.044 A ATOM 17 C LIG 1 -3.688 -1.096 1.251 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -3.516 -1.081 2.636 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -3.427 0.132 3.313 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -3.504 1.328 2.606 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -3.669 1.314 1.218 0.00 0.00 +0.004 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 2.714 -1.564 -0.487 0.00 0.00 -0.324 N ATOM 23 H LIG 1 2.478 -0.741 0.044 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 3.886 -2.494 1.459 0.00 0.00 +0.028 C ATOM 25 C LIG 1 3.957 -2.202 -0.042 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 5.168 -1.298 -0.315 0.00 0.00 +0.009 C ATOM 27 C LIG 1 5.174 0.187 0.151 0.00 0.00 +0.005 C ATOM 28 C LIG 1 5.997 0.502 -1.115 0.00 0.00 +0.001 C ATOM 29 C LIG 1 5.361 -0.748 -1.757 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 0.877 -5.974 -1.008 0.00 0.00 +0.375 C ATOM 31 O LIG 1 1.926 -6.559 -0.795 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 -0.293 -6.622 -1.276 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 -1.016 -5.965 -1.415 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 0.397 0.668 -1.046 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 0.141 1.434 0.266 0.00 0.00 +0.009 C ATOM 36 C LIG 1 0.576 2.900 0.113 0.00 0.00 +0.005 C ATOM 37 C LIG 1 0.315 3.702 1.387 0.00 0.00 +0.003 C ATOM 38 C LIG 1 0.992 3.067 2.607 0.00 0.00 -0.014 C ATOM 39 C LIG 1 0.664 3.853 3.875 0.00 0.00 +0.007 C ATOM 40 C LIG 1 0.579 1.598 2.759 0.00 0.00 +0.003 C ATOM 41 C LIG 1 0.840 0.804 1.480 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 9