REMARK Name = BDB004872 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.632 -1.045 -1.976 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -0.573 -0.635 -1.377 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.701 -1.458 -1.398 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.613 -2.711 -2.018 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.419 -3.135 -2.604 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.700 -2.307 -2.580 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.939 -1.113 -0.816 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -3.675 -1.799 -0.921 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -3.276 0.080 -0.203 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -2.578 1.082 -0.105 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -4.659 0.129 0.352 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -5.363 1.341 0.271 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -6.645 1.389 0.789 0.00 0.00 -0.002 A ATOM 14 C LIG 1 -7.628 2.495 0.783 0.00 0.00 +0.080 C ATOM 15 C LIG 1 -8.643 1.920 1.773 0.00 0.00 +0.234 C ATOM 16 O LIG 1 -8.496 0.481 1.824 0.00 0.00 -0.491 OA ATOM 17 C LIG 1 -7.219 0.271 1.374 0.00 0.00 +0.124 A ATOM 18 C LIG 1 -6.548 -0.931 1.473 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -5.247 -0.999 0.965 0.00 0.00 +0.016 A ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 20 ATOM 20 C LIG 1 1.853 -0.154 -1.928 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 2.705 -0.599 -0.832 0.00 0.00 -0.324 N ATOM 22 H LIG 1 2.179 -0.617 0.038 0.00 0.00 +0.148 HD BRANCH 21 26 ATOM 23 C LIG 1 6.793 0.310 1.607 0.00 0.00 +0.063 A ATOM 24 C LIG 1 5.909 0.622 0.552 0.00 0.00 +0.088 A ATOM 25 C LIG 1 4.760 -0.179 0.408 0.00 0.00 +0.041 A ATOM 26 C LIG 1 3.881 0.158 -0.643 0.00 0.00 +0.130 A ATOM 27 N LIG 1 4.138 1.161 -1.496 0.00 0.00 -0.220 NA ATOM 28 C LIG 1 5.252 1.856 -1.282 0.00 0.00 +0.223 A ATOM 29 C LIG 1 4.535 -1.269 1.287 0.00 0.00 +0.013 A ATOM 30 C LIG 1 5.420 -1.562 2.315 0.00 0.00 +0.002 A ATOM 31 N LIG 1 6.139 1.645 -0.303 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 6.545 -0.770 2.477 0.00 0.00 +0.015 A BRANCH 23 36 ATOM 33 N LIG 1 8.339 2.153 1.093 0.00 0.00 -0.325 N ATOM 34 H LIG 1 9.192 2.667 1.259 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 7.735 2.408 0.317 0.00 0.00 +0.145 HD ATOM 36 C LIG 1 8.047 1.081 1.883 0.00 0.00 +0.244 C ATOM 37 O LIG 1 8.805 0.771 2.796 0.00 0.00 -0.270 OA ENDBRANCH 23 36 ENDBRANCH 21 26 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 6