REMARK Name = BDB017464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.287 2.135 0.931 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -1.603 1.962 0.393 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -2.457 2.522 1.333 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -3.849 2.546 1.190 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -4.421 1.972 0.039 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -3.560 1.434 -0.933 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -1.639 2.997 2.319 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -1.914 3.478 3.167 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -2.166 1.417 -0.776 0.00 0.00 +0.012 A ATOM 10 N LIG 1 -0.333 2.792 2.104 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.917 1.969 -0.174 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -6.720 0.686 -0.253 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -6.170 -0.708 -0.136 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -6.883 -1.524 -1.031 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -6.644 -2.874 -1.188 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -5.638 -3.437 -0.402 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.914 -2.648 0.509 0.00 0.00 +0.000 A ATOM 18 N LIG 1 -7.845 -0.759 -1.695 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -8.499 -1.105 -2.378 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -5.181 -1.281 0.648 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -7.823 0.560 -1.280 0.00 0.00 +0.228 C ATOM 22 O LIG 1 -8.544 1.469 -1.655 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -6.863 1.580 0.945 0.00 0.00 +0.031 C ENDBRANCH 5 11 BRANCH 1 27 ATOM 24 C LIG 1 3.478 0.915 -0.723 0.00 0.00 -0.033 A ATOM 25 C LIG 1 2.356 0.079 -0.814 0.00 0.00 +0.005 A ATOM 26 C LIG 1 1.128 0.470 -0.272 0.00 0.00 +0.010 A ATOM 27 C LIG 1 0.994 1.711 0.362 0.00 0.00 +0.003 A ATOM 28 C LIG 1 2.116 2.544 0.460 0.00 0.00 +0.010 A ATOM 29 C LIG 1 3.345 2.153 -0.081 0.00 0.00 +0.005 A BRANCH 24 30 ATOM 30 C LIG 1 4.804 0.493 -1.318 0.00 0.00 +0.119 C BRANCH 30 35 ATOM 31 C LIG 1 8.620 -1.788 0.610 0.00 0.00 +0.105 C ATOM 32 N LIG 1 7.407 -2.566 0.371 0.00 0.00 -0.303 NA ATOM 33 C LIG 1 7.042 -2.585 -1.059 0.00 0.00 +0.099 C ATOM 34 C LIG 1 6.446 -1.263 -1.599 0.00 0.00 +0.100 C ATOM 35 N LIG 1 5.291 -0.798 -0.807 0.00 0.00 -0.296 NA ATOM 36 C LIG 1 5.661 -0.721 0.621 0.00 0.00 +0.100 C ATOM 37 C LIG 1 6.264 -2.046 1.148 0.00 0.00 +0.099 C ENDBRANCH 30 35 ENDBRANCH 24 30 ENDBRANCH 1 27 TORSDOF 4