REMARK Name = BDB019429 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.462 -2.533 -0.392 0.00 0.00 +0.164 C ATOM 2 N LIG 1 1.879 -2.405 -0.033 0.00 0.00 -0.286 N ATOM 3 C LIG 1 2.569 -1.237 -0.294 0.00 0.00 +0.237 C ATOM 4 O LIG 1 2.021 -0.328 -0.935 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 2.411 -3.683 0.413 0.00 0.00 +0.140 C ATOM 6 C LIG 1 1.512 -4.712 -0.260 0.00 0.00 +0.134 C ATOM 7 C LIG 1 0.148 -4.036 -0.323 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 -0.476 -0.403 0.326 0.00 0.00 -0.310 N ATOM 9 H LIG 1 0.180 -0.036 -0.391 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -0.343 -1.728 0.653 0.00 0.00 +0.234 C ATOM 11 O LIG 1 -0.707 -2.193 1.733 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 -1.097 0.552 1.208 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 -5.348 0.773 0.361 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -4.841 -0.195 1.243 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -3.472 -0.253 1.531 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -2.577 0.652 0.936 0.00 0.00 -0.030 A ATOM 17 C LIG 1 -3.078 1.607 0.039 0.00 0.00 +0.006 A ATOM 18 C LIG 1 -4.451 1.668 -0.245 0.00 0.00 +0.010 A BRANCH 13 25 ATOM 19 C LIG 1 -7.344 3.351 -0.230 0.00 0.00 +0.066 C ATOM 20 C LIG 1 -7.598 1.880 -0.192 0.00 0.00 +0.043 A ATOM 21 N LIG 1 -8.840 1.328 -0.440 0.00 0.00 -0.337 N ATOM 22 C LIG 1 -10.062 2.038 -0.771 0.00 0.00 +0.150 C ATOM 23 C LIG 1 -8.735 -0.032 -0.305 0.00 0.00 +0.199 A ATOM 24 N LIG 1 -7.506 -0.393 0.001 0.00 0.00 -0.235 NA ATOM 25 C LIG 1 -6.776 0.780 0.060 0.00 0.00 +0.092 A ENDBRANCH 13 25 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 26 ATOM 26 O LIG 1 1.995 -4.970 -1.578 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 1.416 -5.638 -1.968 0.00 0.00 +0.210 HD ENDBRANCH 6 26 BRANCH 3 28 ATOM 28 C LIG 1 4.028 -1.097 0.234 0.00 0.00 +0.165 C BRANCH 28 29 ATOM 29 N LIG 1 4.660 0.115 -0.321 0.00 0.00 -0.281 N ATOM 30 C LIG 1 4.378 1.432 0.046 0.00 0.00 +0.248 C ATOM 31 O LIG 1 3.678 1.853 0.948 0.00 0.00 -0.270 OA ATOM 32 C LIG 1 5.100 2.296 -0.894 0.00 0.00 +0.042 A ATOM 33 C LIG 1 5.705 1.482 -1.853 0.00 0.00 -0.018 A ATOM 34 C LIG 1 6.494 2.036 -2.848 0.00 0.00 +0.006 A ATOM 35 C LIG 1 6.671 3.425 -2.848 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.047 4.238 -1.877 0.00 0.00 +0.001 A ATOM 37 C LIG 1 5.244 3.672 -0.884 0.00 0.00 +0.013 A ATOM 38 C LIG 1 5.360 0.057 -1.595 0.00 0.00 +0.144 C ENDBRANCH 28 29 BRANCH 28 39 ATOM 39 C LIG 1 4.199 -1.296 1.769 0.00 0.00 +0.012 C ATOM 40 C LIG 1 3.166 -0.605 2.659 0.00 0.00 +0.009 C ATOM 41 C LIG 1 5.619 -0.963 2.249 0.00 0.00 +0.009 C ENDBRANCH 28 39 ENDBRANCH 3 28 TORSDOF 8