REMARK Name = BDB024454 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.130 0.566 1.711 0.00 0.00 +0.263 C ATOM 2 N LIG 1 -0.752 -0.488 1.807 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -0.430 -1.392 1.468 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.117 1.700 2.103 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.582 0.814 0.338 0.00 0.00 +0.123 A ATOM 6 N LIG 1 3.761 -0.442 -0.096 0.00 0.00 -0.221 NA ATOM 7 C LIG 1 2.752 -1.312 0.067 0.00 0.00 +0.224 A ATOM 8 N LIG 1 1.572 -1.048 0.630 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 1.438 0.225 1.068 0.00 0.00 +0.130 A ATOM 10 C LIG 1 2.408 1.195 0.950 0.00 0.00 +0.076 A BRANCH 5 11 ATOM 11 N LIG 1 4.603 1.764 0.228 0.00 0.00 -0.326 N ATOM 12 H LIG 1 4.225 2.630 -0.150 0.00 0.00 +0.148 HD BRANCH 11 18 ATOM 13 C LIG 1 10.171 -1.021 -1.797 0.00 0.00 +0.109 C ATOM 14 C LIG 1 8.784 -0.986 -2.392 0.00 0.00 +0.212 C ATOM 15 N LIG 1 7.788 -0.394 -1.624 0.00 0.00 -0.302 N ATOM 16 C LIG 1 8.003 0.081 -0.257 0.00 0.00 +0.109 C ATOM 17 C LIG 1 6.710 0.449 0.460 0.00 0.00 +0.041 C ATOM 18 C LIG 1 5.889 1.418 -0.396 0.00 0.00 +0.075 C ATOM 19 C LIG 1 5.769 1.007 -1.870 0.00 0.00 +0.041 C ATOM 20 C LIG 1 6.425 -0.342 -2.149 0.00 0.00 +0.109 C ATOM 21 O LIG 1 8.576 -1.467 -3.505 0.00 0.00 -0.276 OA ENDBRANCH 11 18 ENDBRANCH 5 11 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 C LIG 1 -2.068 -0.378 2.412 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -3.188 -0.117 1.384 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -3.108 -1.145 0.383 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -2.272 -0.998 -0.092 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.085 1.294 0.750 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -4.227 1.864 0.009 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -4.948 0.930 -0.884 0.00 0.00 +0.122 C ATOM 29 C LIG 1 -6.094 0.265 -0.184 0.00 0.00 -0.005 A ATOM 30 C LIG 1 -6.630 0.731 1.000 0.00 0.00 +0.023 A ATOM 31 N LIG 1 -7.669 -0.073 1.362 0.00 0.00 -0.358 N ATOM 32 H LIG 1 -8.238 0.030 2.191 0.00 0.00 +0.166 HD ATOM 33 C LIG 1 -7.832 -1.068 0.421 0.00 0.00 +0.047 A ATOM 34 C LIG 1 -8.764 -2.112 0.367 0.00 0.00 +0.026 A ATOM 35 C LIG 1 -8.694 -2.989 -0.720 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -7.729 -2.827 -1.712 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.804 -1.779 -1.644 0.00 0.00 +0.010 A ATOM 38 C LIG 1 -6.110 1.898 1.755 0.00 0.00 +0.069 C ATOM 39 C LIG 1 -6.852 -0.880 -0.560 0.00 0.00 +0.004 A ATOM 40 C LIG 1 -5.138 2.683 0.839 0.00 0.00 +0.091 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 8