REMARK Name = BDB010840 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.700 -2.199 0.177 0.00 0.00 +0.142 A ATOM 2 N LIG 1 -0.849 -1.207 -0.292 0.00 0.00 -0.321 N ATOM 3 C LIG 1 0.411 -1.460 0.220 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.195 -2.487 1.125 0.00 0.00 +0.184 A ATOM 5 N LIG 1 1.138 -3.027 1.909 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.337 -2.470 1.701 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.656 -1.499 0.827 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.704 -0.960 0.041 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.095 -2.919 1.103 0.00 0.00 -0.210 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 3.434 -3.003 2.540 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.171 -3.993 3.410 0.00 0.00 -0.269 N ATOM 12 H LIG 1 2.284 -4.441 3.571 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.321 -4.280 4.032 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.478 -5.129 4.894 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.301 -3.455 3.537 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.671 -2.625 2.552 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 N LIG 1 2.047 -0.008 -0.897 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.293 0.522 -1.298 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 3.325 0.711 -0.878 0.00 0.00 +0.072 C ATOM 20 C LIG 1 4.506 -0.199 -1.211 0.00 0.00 +0.028 C BRANCH 19 21 ATOM 21 C LIG 1 3.566 1.484 0.419 0.00 0.00 +0.009 C ATOM 22 C LIG 1 2.539 2.600 0.763 0.00 0.00 +0.005 C ATOM 23 C LIG 1 3.722 3.418 1.319 0.00 0.00 +0.001 C ATOM 24 C LIG 1 4.630 2.618 0.364 0.00 0.00 +0.005 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 8 17 BRANCH 1 25 ATOM 25 C LIG 1 -3.108 -2.469 -0.282 0.00 0.00 +0.183 C BRANCH 25 27 ATOM 26 C LIG 1 -2.477 -4.293 -1.941 0.00 0.00 +0.010 C ATOM 27 C LIG 1 -3.204 -2.960 -1.742 0.00 0.00 +0.019 C ATOM 28 C LIG 1 -4.669 -3.107 -2.172 0.00 0.00 +0.010 C ENDBRANCH 25 27 BRANCH 25 29 ATOM 29 O LIG 1 -3.857 -1.272 -0.091 0.00 0.00 -0.384 OA ATOM 30 H LIG 1 -3.967 -1.180 0.873 0.00 0.00 +0.210 HD ENDBRANCH 25 29 ENDBRANCH 1 25 BRANCH 2 31 ATOM 31 C LIG 1 -1.210 -0.102 -1.165 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 -1.130 1.294 -0.503 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -2.186 1.518 0.598 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -3.444 2.193 0.061 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -3.145 3.584 -0.530 0.00 0.00 -0.014 C ATOM 36 C LIG 1 -3.435 4.695 0.481 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -1.702 3.705 -1.050 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -1.200 2.376 -1.600 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 9