REMARK Name = BDB024456 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.281 -2.604 2.485 0.00 0.00 +0.263 C ATOM 2 N LIG 1 0.010 -2.144 2.741 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -0.331 -2.422 3.653 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 1.804 -3.330 3.332 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 2.267 -1.025 -0.682 0.00 0.00 +0.220 A ATOM 6 N LIG 1 1.586 -1.276 0.444 0.00 0.00 -0.210 NA ATOM 7 C LIG 1 2.025 -2.285 1.222 0.00 0.00 +0.132 A ATOM 8 C LIG 1 3.127 -3.049 0.925 0.00 0.00 +0.076 A ATOM 9 C LIG 1 3.761 -2.742 -0.246 0.00 0.00 +0.125 A ATOM 10 N LIG 1 3.323 -1.765 -1.052 0.00 0.00 -0.200 NA BRANCH 5 15 ATOM 11 C LIG 1 4.020 3.471 -0.517 0.00 0.00 +0.105 C ATOM 12 N LIG 1 3.424 2.169 -0.784 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 2.109 2.024 -0.117 0.00 0.00 +0.103 C ATOM 14 C LIG 1 1.112 1.084 -0.847 0.00 0.00 +0.123 C ATOM 15 N LIG 1 1.810 -0.012 -1.530 0.00 0.00 -0.297 N ATOM 16 C LIG 1 2.781 0.465 -2.540 0.00 0.00 +0.123 C ATOM 17 C LIG 1 3.319 1.891 -2.225 0.00 0.00 +0.103 C ENDBRANCH 5 15 BRANCH 9 18 ATOM 18 N LIG 1 4.885 -3.446 -0.696 0.00 0.00 -0.326 N ATOM 19 H LIG 1 5.244 -2.955 -1.512 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 5.853 -4.090 0.128 0.00 0.00 +0.072 C ATOM 21 C LIG 1 6.848 -3.110 0.793 0.00 0.00 +0.022 C ATOM 22 C LIG 1 7.950 -4.147 0.484 0.00 0.00 +0.004 C ATOM 23 C LIG 1 7.057 -4.636 -0.677 0.00 0.00 +0.022 C ENDBRANCH 18 20 ENDBRANCH 9 18 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 -0.884 -1.336 1.916 0.00 0.00 +0.137 C BRANCH 24 25 ATOM 25 C LIG 1 -1.482 -2.139 0.748 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 O LIG 1 -2.315 -3.192 1.257 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -1.756 -3.694 1.877 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -2.262 -1.256 -0.254 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -3.131 -0.210 0.331 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -3.545 0.731 -0.747 0.00 0.00 +0.122 C ATOM 31 C LIG 1 -4.547 1.711 -0.223 0.00 0.00 -0.005 A ATOM 32 C LIG 1 -4.959 2.965 -0.755 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.953 3.473 0.094 0.00 0.00 +0.049 A ATOM 34 N LIG 1 -6.125 2.554 1.115 0.00 0.00 -0.346 N ATOM 35 C LIG 1 -7.042 2.681 2.226 0.00 0.00 +0.149 C ATOM 36 C LIG 1 -6.581 4.704 -0.163 0.00 0.00 +0.026 A ATOM 37 C LIG 1 -6.187 5.427 -1.293 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -5.203 4.940 -2.147 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -4.585 3.713 -1.891 0.00 0.00 +0.010 A ATOM 40 C LIG 1 -5.297 1.484 0.910 0.00 0.00 +0.025 A ATOM 41 C LIG 1 -5.160 0.269 1.759 0.00 0.00 +0.069 C ATOM 42 C LIG 1 -4.323 -0.795 1.001 0.00 0.00 +0.091 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 9