REMARK Name = BDB057989 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.676 -0.694 -0.578 0.00 0.00 +0.097 A ATOM 2 N LIG 1 -1.845 -1.349 -0.969 0.00 0.00 -0.229 N ATOM 3 N LIG 1 -1.564 -2.418 -1.756 0.00 0.00 -0.157 NA ATOM 4 C LIG 1 -0.226 -2.521 -1.792 0.00 0.00 +0.191 A ATOM 5 C LIG 1 0.374 -1.494 -1.016 0.00 0.00 +0.094 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -0.329 3.046 1.459 0.00 0.00 +0.121 A ATOM 7 C LIG 1 -0.750 3.005 0.130 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -0.873 1.778 -0.533 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -0.582 0.580 0.129 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -0.144 0.623 1.457 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -0.020 1.849 2.113 0.00 0.00 +0.046 A BRANCH 6 12 ATOM 12 O LIG 1 -0.158 4.166 2.221 0.00 0.00 -0.492 OA BRANCH 12 14 ATOM 13 C LIG 1 0.484 6.127 0.949 0.00 0.00 +0.048 C ATOM 14 C LIG 1 -0.618 5.419 1.718 0.00 0.00 +0.225 C ENDBRANCH 12 14 ENDBRANCH 6 12 ENDBRANCH 1 9 BRANCH 2 15 ATOM 15 C LIG 1 -3.223 -1.069 -0.680 0.00 0.00 +0.066 A ATOM 16 C LIG 1 -4.217 -1.752 -1.409 0.00 0.00 +0.031 A ATOM 17 C LIG 1 -5.575 -1.518 -1.170 0.00 0.00 +0.048 A ATOM 18 C LIG 1 -5.957 -0.617 -0.180 0.00 0.00 +0.129 A ATOM 19 C LIG 1 -4.987 0.070 0.546 0.00 0.00 +0.048 A ATOM 20 C LIG 1 -3.626 -0.163 0.308 0.00 0.00 +0.031 A BRANCH 18 21 ATOM 21 O LIG 1 -7.271 -0.310 0.089 0.00 0.00 -0.456 OA BRANCH 21 22 ATOM 22 C LIG 1 -8.156 -1.358 0.205 0.00 0.00 +0.128 A ATOM 23 C LIG 1 -7.894 -2.485 0.990 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -8.852 -3.495 1.093 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -10.072 -3.371 0.428 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -10.341 -2.234 -0.336 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -9.385 -1.223 -0.441 0.00 0.00 +0.046 A ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 2 15 BRANCH 5 28 ATOM 28 N LIG 1 1.703 -1.202 -0.722 0.00 0.00 -0.278 N ATOM 29 H LIG 1 1.875 -0.311 -0.272 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 2.724 -2.132 -0.719 0.00 0.00 +0.248 C ATOM 31 O LIG 1 2.588 -3.342 -0.861 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 4.077 -1.582 -0.425 0.00 0.00 +0.037 A ATOM 33 C LIG 1 5.005 -2.398 0.228 0.00 0.00 +0.016 A ATOM 34 C LIG 1 6.280 -1.908 0.522 0.00 0.00 +0.046 A ATOM 35 C LIG 1 6.651 -0.610 0.158 0.00 0.00 +0.121 A ATOM 36 C LIG 1 5.728 0.199 -0.504 0.00 0.00 +0.046 A ATOM 37 C LIG 1 4.447 -0.284 -0.801 0.00 0.00 +0.016 A BRANCH 35 38 ATOM 38 O LIG 1 7.923 -0.268 0.515 0.00 0.00 -0.489 OA BRANCH 38 39 ATOM 39 C LIG 1 8.475 0.970 0.055 0.00 0.00 +0.167 C ATOM 40 C LIG 1 8.160 2.081 1.052 0.00 0.00 +0.051 C ATOM 41 C LIG 1 9.985 0.768 -0.041 0.00 0.00 +0.051 C ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 5 28 BRANCH 4 42 ATOM 42 C LIG 1 0.399 -3.531 -2.646 0.00 0.00 +0.359 C ATOM 43 O LIG 1 0.011 -4.682 -2.812 0.00 0.00 -0.243 OA BRANCH 42 44 ATOM 44 O LIG 1 1.447 -3.073 -3.379 0.00 0.00 -0.476 OA ATOM 45 H LIG 1 1.752 -3.893 -3.817 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 4 42 TORSDOF 12