REMARK Name = BDB010770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.855 -0.202 0.773 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.829 -1.095 0.457 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.799 -2.338 1.075 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.220 -3.109 0.610 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 -0.803 -2.396 -0.329 0.00 0.00 +0.123 A ATOM 6 N LIG 1 1.681 -2.756 1.992 0.00 0.00 -0.202 NA ATOM 7 C LIG 1 2.633 -1.854 2.233 0.00 0.00 +0.221 A ATOM 8 N LIG 1 -0.262 -1.122 -0.393 0.00 0.00 -0.323 N ATOM 9 N LIG 1 2.760 -0.632 1.675 0.00 0.00 -0.206 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.666 -2.235 3.218 0.00 0.00 +0.287 A ATOM 11 O LIG 1 4.627 -1.301 3.450 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 5.436 -1.884 4.372 0.00 0.00 +0.436 A ATOM 13 O LIG 1 6.433 -1.387 4.863 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 4.905 -3.117 4.626 0.00 0.00 -0.208 N ATOM 15 H LIG 1 5.281 -3.799 5.271 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 3.783 -3.340 3.895 0.00 0.00 -0.127 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 -1.961 -3.030 -1.238 0.00 0.00 +0.054 C ATOM 18 C LIG 1 -1.570 -3.064 -2.759 0.00 0.00 +0.019 C ATOM 19 C LIG 1 -2.141 -4.491 -2.824 0.00 0.00 +0.003 C ATOM 20 C LIG 1 -1.840 -4.606 -1.320 0.00 0.00 +0.019 C BRANCH 17 21 ATOM 21 C LIG 1 -3.409 -2.494 -0.778 0.00 0.00 -0.034 A ATOM 22 C LIG 1 -4.340 -1.907 -1.661 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -5.588 -1.444 -1.229 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.951 -1.561 0.107 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -5.070 -2.147 1.008 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.826 -2.606 0.568 0.00 0.00 +0.004 A ENDBRANCH 17 21 ENDBRANCH 5 17 BRANCH 1 27 ATOM 27 N LIG 1 2.000 1.052 0.201 0.00 0.00 -0.324 N ATOM 28 H LIG 1 1.126 1.508 -0.011 0.00 0.00 +0.148 HD BRANCH 27 30 ATOM 29 C LIG 1 2.496 3.375 0.733 0.00 0.00 +0.028 C ATOM 30 C LIG 1 3.053 1.948 0.694 0.00 0.00 +0.072 C BRANCH 30 31 ATOM 31 C LIG 1 4.255 1.907 -0.252 0.00 0.00 +0.009 C ATOM 32 C LIG 1 5.530 2.686 0.183 0.00 0.00 +0.005 C ATOM 33 C LIG 1 6.351 1.570 -0.494 0.00 0.00 +0.001 C ATOM 34 C LIG 1 5.153 0.636 -0.232 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 27 BRANCH 8 35 ATOM 35 C LIG 1 -0.712 -0.064 -1.279 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 -1.902 0.767 -0.753 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -2.505 1.576 -1.921 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -3.341 2.747 -1.419 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -2.473 3.765 -0.659 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -3.335 4.570 0.315 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -1.281 3.103 0.056 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -1.581 1.663 0.460 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 8