REMARK Name = BDB002163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.138 2.340 0.876 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.627 1.060 1.094 0.00 0.00 -0.284 N ATOM 3 H LIG 1 -0.068 0.467 1.710 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.697 3.223 0.233 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.796 0.472 0.570 0.00 0.00 +0.041 A ATOM 6 C LIG 1 -2.679 1.123 -0.297 0.00 0.00 +0.073 A ATOM 7 C LIG 1 -3.825 0.473 -0.773 0.00 0.00 +0.167 A ATOM 8 C LIG 1 -4.084 -0.848 -0.368 0.00 0.00 +0.204 A ATOM 9 C LIG 1 -3.178 -1.526 0.456 0.00 0.00 +0.167 A ATOM 10 C LIG 1 -2.057 -0.851 0.944 0.00 0.00 +0.073 A BRANCH 7 11 ATOM 11 O LIG 1 -4.748 1.037 -1.618 0.00 0.00 -0.491 OA ATOM 12 C LIG 1 -4.482 2.349 -2.097 0.00 0.00 +0.277 C ENDBRANCH 7 11 BRANCH 8 13 ATOM 13 O LIG 1 -5.222 -1.479 -0.812 0.00 0.00 -0.488 OA ATOM 14 C LIG 1 -6.312 -1.177 0.060 0.00 0.00 +0.277 C ENDBRANCH 8 13 BRANCH 9 15 ATOM 15 O LIG 1 -3.309 -2.818 0.897 0.00 0.00 -0.491 OA ATOM 16 C LIG 1 -3.704 -3.746 -0.111 0.00 0.00 +0.277 C ENDBRANCH 9 15 ENDBRANCH 2 5 BRANCH 1 17 ATOM 17 C LIG 1 1.199 2.600 1.583 0.00 0.00 +0.226 C BRANCH 17 26 ATOM 18 N LIG 1 3.446 -0.278 0.961 0.00 0.00 -0.293 N ATOM 19 C LIG 1 4.271 0.200 -0.096 0.00 0.00 +0.059 A ATOM 20 C LIG 1 4.082 1.493 -0.581 0.00 0.00 +0.063 A ATOM 21 C LIG 1 4.873 2.005 -1.622 0.00 0.00 +0.015 A ATOM 22 C LIG 1 5.868 1.219 -2.194 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.067 -0.075 -1.728 0.00 0.00 +0.002 A ATOM 24 C LIG 1 3.033 2.341 0.006 0.00 0.00 +0.265 A ATOM 25 O LIG 1 2.887 3.489 -0.406 0.00 0.00 -0.267 OA ATOM 26 N LIG 1 2.264 1.777 1.011 0.00 0.00 -0.251 N ATOM 27 C LIG 1 5.276 -0.582 -0.690 0.00 0.00 +0.027 A ATOM 28 C LIG 1 2.408 0.485 1.483 0.00 0.00 +0.333 A ATOM 29 O LIG 1 1.615 0.029 2.314 0.00 0.00 -0.246 OA BRANCH 18 31 ATOM 30 C LIG 1 2.789 -2.652 0.667 0.00 0.00 +0.027 C ATOM 31 C LIG 1 3.596 -1.643 1.473 0.00 0.00 +0.123 C ENDBRANCH 18 31 ENDBRANCH 17 26 ENDBRANCH 1 17 TORSDOF 7