REMARK Name = BDB005928 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.045 0.525 -0.764 0.00 0.00 -0.310 N ATOM 2 C LIG 1 0.165 1.847 -0.398 0.00 0.00 +0.096 A ATOM 3 C LIG 1 1.544 1.919 -0.216 0.00 0.00 +0.095 A ATOM 4 C LIG 1 2.148 3.089 0.243 0.00 0.00 +0.061 A ATOM 5 C LIG 1 1.296 4.146 0.497 0.00 0.00 +0.112 A ATOM 6 N LIG 1 -0.042 4.098 0.294 0.00 0.00 -0.241 NA ATOM 7 N LIG 1 2.155 0.747 -0.556 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -0.639 2.971 -0.176 0.00 0.00 +0.099 A ATOM 9 C LIG 1 1.194 -0.084 -0.882 0.00 0.00 +0.200 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 1.804 5.438 1.017 0.00 0.00 +0.201 A ATOM 11 N LIG 1 3.117 5.723 1.036 0.00 0.00 -0.270 N ATOM 12 H LIG 1 3.906 5.199 0.704 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.238 6.960 1.541 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.288 7.564 1.689 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 1.991 7.429 1.855 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 1.073 6.396 1.488 0.00 0.00 -0.053 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.068 3.074 -0.415 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -2.601 3.025 -1.695 0.00 0.00 +0.145 A ATOM 19 N LIG 1 -3.926 3.092 -1.953 0.00 0.00 -0.157 NA ATOM 20 N LIG 1 -4.793 3.261 -0.923 0.00 0.00 -0.158 NA ATOM 21 C LIG 1 -4.315 3.378 0.332 0.00 0.00 +0.135 A ATOM 22 C LIG 1 -2.969 3.290 0.627 0.00 0.00 +0.033 A ENDBRANCH 8 17 BRANCH 9 23 ATOM 23 N LIG 1 1.337 -1.356 -1.359 0.00 0.00 -0.289 N ATOM 24 C LIG 1 2.454 -2.185 -0.782 0.00 0.00 +0.132 C ATOM 25 C LIG 1 3.749 -1.982 -1.607 0.00 0.00 +0.187 C ATOM 26 O LIG 1 3.623 -2.428 -2.975 0.00 0.00 -0.376 OA ATOM 27 C LIG 1 2.262 -2.496 -3.423 0.00 0.00 +0.179 C ATOM 28 C LIG 1 1.385 -1.368 -2.860 0.00 0.00 +0.136 C BRANCH 24 29 ATOM 29 C LIG 1 2.616 -2.102 0.732 0.00 0.00 -0.025 A ATOM 30 C LIG 1 3.509 -1.212 1.349 0.00 0.00 +0.005 A ATOM 31 C LIG 1 3.643 -1.177 2.739 0.00 0.00 +0.000 A ATOM 32 C LIG 1 2.890 -2.034 3.537 0.00 0.00 +0.000 A ATOM 33 C LIG 1 2.001 -2.926 2.945 0.00 0.00 +0.000 A ATOM 34 C LIG 1 1.867 -2.961 1.556 0.00 0.00 +0.005 A ENDBRANCH 24 29 ENDBRANCH 9 23 BRANCH 1 35 ATOM 35 C LIG 1 -1.327 -0.131 -0.976 0.00 0.00 +0.128 C BRANCH 35 40 ATOM 36 C LIG 1 -3.523 -4.489 -0.316 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -3.014 -3.049 -0.343 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -1.728 -2.908 0.486 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.569 -1.536 1.148 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -2.137 -0.383 0.315 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -3.631 -0.617 0.001 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -4.089 -2.072 0.132 0.00 0.00 +0.003 C ENDBRANCH 35 40 ENDBRANCH 1 35 TORSDOF 6