REMARK Name = BDB020464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.126 0.430 1.634 0.00 0.00 +0.041 C ATOM 2 C LIG 1 -4.133 1.196 0.765 0.00 0.00 +0.171 C ATOM 3 N LIG 1 -2.878 0.473 0.635 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -1.795 0.739 1.431 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.820 -0.135 1.005 0.00 0.00 +0.094 A ATOM 6 N LIG 1 -1.287 -0.901 -0.033 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 -1.862 1.784 2.466 0.00 0.00 +0.163 C ATOM 8 N LIG 1 -2.729 2.859 2.006 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -2.567 4.148 2.656 0.00 0.00 +0.132 C ATOM 10 C LIG 1 -2.536 -0.528 -0.241 0.00 0.00 +0.115 A ATOM 11 C LIG 1 -3.924 2.599 1.341 0.00 0.00 +0.238 C ATOM 12 O LIG 1 -4.811 3.448 1.221 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 0.528 -0.251 1.532 0.00 0.00 +0.011 A ATOM 14 C LIG 1 1.669 -0.109 0.692 0.00 0.00 +0.011 A ATOM 15 C LIG 1 2.956 -0.237 1.252 0.00 0.00 +0.072 A ATOM 16 N LIG 1 4.081 -0.110 0.530 0.00 0.00 -0.245 NA ATOM 17 C LIG 1 4.003 0.155 -0.804 0.00 0.00 +0.092 A ATOM 18 C LIG 1 2.785 0.291 -1.456 0.00 0.00 +0.078 A ATOM 19 C LIG 1 3.078 -0.502 2.608 0.00 0.00 +0.028 A ATOM 20 C LIG 1 1.965 -0.651 3.434 0.00 0.00 +0.003 A ATOM 21 C LIG 1 1.619 0.162 -0.694 0.00 0.00 +0.031 A ATOM 22 C LIG 1 0.691 -0.528 2.897 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.301 0.276 -1.456 0.00 0.00 +0.039 A ATOM 24 C LIG 1 6.439 -0.381 -1.026 0.00 0.00 +0.118 A ATOM 25 N LIG 1 7.447 -0.005 -1.862 0.00 0.00 -0.274 N ATOM 26 C LIG 1 8.823 -0.434 -1.813 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.057 0.865 -2.808 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 5.756 1.040 -2.557 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 2.660 0.530 -2.858 0.00 0.00 +0.101 C ATOM 30 N LIG 1 2.533 0.742 -3.992 0.00 0.00 -0.191 NA ENDBRANCH 18 29 ENDBRANCH 5 13 BRANCH 10 31 ATOM 31 C LIG 1 -3.443 -1.118 -1.287 0.00 0.00 +0.060 C ATOM 32 C LIG 1 -2.803 -1.016 -2.683 0.00 0.00 +0.039 C ATOM 33 C LIG 1 -2.146 -2.333 -3.070 0.00 0.00 +0.160 C ATOM 34 O LIG 1 -3.092 -3.402 -3.146 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -4.145 -3.354 -2.185 0.00 0.00 +0.160 C ATOM 36 C LIG 1 -3.783 -2.575 -0.931 0.00 0.00 +0.039 C ENDBRANCH 10 31 TORSDOF 4