REMARK Name = BDB011892 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.376 0.519 1.697 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.147 0.401 2.314 0.00 0.00 -0.280 N ATOM 3 C LIG 1 1.038 1.284 2.150 0.00 0.00 +0.193 C ATOM 4 C LIG 1 1.871 0.946 3.361 0.00 0.00 -0.014 A ATOM 5 C LIG 1 1.270 -0.081 4.097 0.00 0.00 -0.025 A ATOM 6 C LIG 1 1.859 -0.577 5.248 0.00 0.00 +0.005 A ATOM 7 C LIG 1 3.069 -0.019 5.665 0.00 0.00 +0.000 A ATOM 8 C LIG 1 3.669 1.018 4.933 0.00 0.00 +0.000 A ATOM 9 C LIG 1 3.070 1.508 3.771 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -0.013 -0.498 3.461 0.00 0.00 +0.144 C ATOM 11 O LIG 1 -2.261 -0.306 1.940 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 1.836 1.018 0.844 0.00 0.00 +0.242 C ATOM 13 N LIG 1 1.514 -0.193 0.250 0.00 0.00 -0.283 N ATOM 14 H LIG 1 0.803 -0.712 0.745 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 2.704 1.804 0.471 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 2.008 -0.764 -0.947 0.00 0.00 +0.041 A ATOM 17 C LIG 1 1.502 -2.035 -1.376 0.00 0.00 +0.003 A ATOM 18 C LIG 1 2.006 -2.591 -2.583 0.00 0.00 -0.016 A ATOM 19 C LIG 1 1.544 -3.835 -3.044 0.00 0.00 +0.008 A ATOM 20 C LIG 1 0.582 -4.553 -2.338 0.00 0.00 +0.001 A ATOM 21 C LIG 1 0.069 -4.033 -1.161 0.00 0.00 +0.001 A ATOM 22 C LIG 1 2.969 -1.900 -3.327 0.00 0.00 +0.008 A ATOM 23 C LIG 1 3.442 -0.664 -2.905 0.00 0.00 +0.002 A ATOM 24 C LIG 1 0.520 -2.797 -0.687 0.00 0.00 +0.010 A ATOM 25 C LIG 1 2.963 -0.101 -1.724 0.00 0.00 +0.024 A ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 26 ATOM 26 C LIG 1 -1.551 1.581 0.589 0.00 0.00 +0.162 C BRANCH 26 28 ATOM 27 C LIG 1 -1.023 1.512 -1.839 0.00 0.00 +0.230 C ATOM 28 N LIG 1 -1.407 0.878 -0.676 0.00 0.00 -0.302 N ATOM 29 H LIG 1 -1.899 -0.004 -0.820 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 -0.654 2.681 -1.868 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 31 C LIG 1 -1.063 0.578 -3.072 0.00 0.00 +0.137 C ATOM 32 C LIG 1 -1.055 1.397 -4.361 0.00 0.00 +0.034 C BRANCH 31 34 ATOM 33 C LIG 1 -2.170 -1.461 -3.828 0.00 0.00 +0.101 C ATOM 34 N LIG 1 -2.255 -0.301 -2.951 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 -3.086 0.241 -3.191 0.00 0.00 +0.122 HD ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 26 28 BRANCH 26 36 ATOM 36 C LIG 1 -2.879 2.372 0.670 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -4.146 1.536 0.465 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -2.969 3.153 1.984 0.00 0.00 +0.009 C ENDBRANCH 26 36 ENDBRANCH 1 26 TORSDOF 7