REMARK Name = BDB024451 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.263 1.348 -0.665 0.00 0.00 +0.263 C ATOM 2 N LIG 1 0.488 1.361 -1.832 0.00 0.00 -0.308 N ATOM 3 H LIG 1 0.131 0.838 -2.624 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.227 1.557 0.441 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.567 0.028 0.065 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -2.275 0.332 0.180 0.00 0.00 -0.210 NA ATOM 7 C LIG 1 -1.718 1.035 -0.822 0.00 0.00 +0.132 A ATOM 8 C LIG 1 -2.407 1.468 -1.929 0.00 0.00 +0.076 A ATOM 9 C LIG 1 -3.737 1.131 -1.970 0.00 0.00 +0.125 A ATOM 10 N LIG 1 -4.300 0.406 -0.996 0.00 0.00 -0.200 NA BRANCH 5 15 ATOM 11 C LIG 1 -6.838 -0.705 4.188 0.00 0.00 +0.105 C ATOM 12 N LIG 1 -5.735 -1.372 3.503 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 -4.532 -0.507 3.490 0.00 0.00 +0.103 C ATOM 14 C LIG 1 -3.526 -0.836 2.363 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -4.170 -0.721 1.051 0.00 0.00 -0.297 N ATOM 16 C LIG 1 -5.623 -0.882 0.995 0.00 0.00 +0.123 C ATOM 17 C LIG 1 -6.112 -1.801 2.138 0.00 0.00 +0.103 C ENDBRANCH 5 15 BRANCH 9 18 ATOM 18 N LIG 1 -4.485 1.530 -3.106 0.00 0.00 -0.326 N ATOM 19 H LIG 1 -4.300 2.515 -3.283 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 -5.849 1.212 -3.418 0.00 0.00 +0.072 C ATOM 21 C LIG 1 -6.261 -0.269 -3.313 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -7.608 0.226 -2.739 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -6.896 1.535 -2.333 0.00 0.00 +0.022 C ENDBRANCH 18 20 ENDBRANCH 9 18 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 1.940 1.430 -1.758 0.00 0.00 +0.137 C BRANCH 24 25 ATOM 25 C LIG 1 2.546 0.054 -1.454 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 O LIG 1 2.276 -0.823 -2.563 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 2.948 -1.531 -2.478 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 4.072 0.147 -1.249 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 4.703 -1.193 -1.152 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 6.190 -1.075 -1.226 0.00 0.00 +0.122 C ATOM 31 C LIG 1 6.767 -0.613 0.076 0.00 0.00 -0.005 A ATOM 32 C LIG 1 6.101 -0.740 1.278 0.00 0.00 +0.023 A ATOM 33 N LIG 1 6.888 -0.243 2.275 0.00 0.00 -0.358 N ATOM 34 H LIG 1 6.646 -0.200 3.256 0.00 0.00 +0.166 HD ATOM 35 C LIG 1 8.079 0.203 1.741 0.00 0.00 +0.047 A ATOM 36 C LIG 1 9.187 0.781 2.373 0.00 0.00 +0.026 A ATOM 37 C LIG 1 10.275 1.141 1.573 0.00 0.00 +0.002 A ATOM 38 C LIG 1 10.256 0.931 0.196 0.00 0.00 +0.001 A ATOM 39 C LIG 1 9.141 0.353 -0.422 0.00 0.00 +0.010 A ATOM 40 C LIG 1 4.729 -1.291 1.427 0.00 0.00 +0.069 C ATOM 41 C LIG 1 8.030 -0.019 0.360 0.00 0.00 +0.004 A ATOM 42 C LIG 1 4.309 -1.939 0.079 0.00 0.00 +0.091 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 9