REMARK Name = BDB034211 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.030 0.102 2.374 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 6.208 0.093 -0.437 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.222 -0.475 -1.231 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.327 -0.953 -2.343 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.974 -0.417 -0.463 0.00 0.00 +0.042 A ATOM 6 C LIG 1 4.263 0.103 0.794 0.00 0.00 -0.015 A ATOM 7 C LIG 1 3.253 0.262 1.727 0.00 0.00 +0.051 A ATOM 8 C LIG 1 1.944 -0.105 1.379 0.00 0.00 +0.121 A ATOM 9 C LIG 1 1.675 -0.637 0.105 0.00 0.00 +0.046 A ATOM 10 C LIG 1 2.700 -0.798 -0.835 0.00 0.00 +0.017 A ATOM 11 C LIG 1 5.722 0.386 0.906 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 11.118 -1.317 -2.502 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 10.048 -0.930 -2.039 0.00 0.00 +0.219 C ATOM 14 N LIG 1 9.327 -1.714 -1.174 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.714 -2.627 -0.975 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 8.197 -1.374 -0.466 0.00 0.00 +0.240 C ATOM 17 O LIG 1 7.754 -2.132 0.396 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 7.636 0.032 -0.729 0.00 0.00 +0.163 C ATOM 19 C LIG 1 7.996 0.499 -2.139 0.00 0.00 +0.041 C ATOM 20 C LIG 1 9.506 0.453 -2.314 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -0.361 -0.137 2.110 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -1.017 1.089 1.426 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -1.092 2.072 2.608 0.00 0.00 +0.023 C ATOM 24 C LIG 1 -1.463 1.223 3.821 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -1.069 -0.214 3.471 0.00 0.00 +0.046 C BRANCH 22 26 ATOM 26 N LIG 1 -2.371 0.773 0.932 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -2.954 1.914 0.181 0.00 0.00 +0.094 C ATOM 28 C LIG 1 -3.438 0.910 -0.897 0.00 0.00 +0.047 C ATOM 29 C LIG 1 -2.317 -0.000 -0.333 0.00 0.00 +0.094 C BRANCH 28 30 ATOM 30 C LIG 1 -4.950 0.392 -0.865 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -5.572 -0.079 0.307 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -6.897 -0.532 0.321 0.00 0.00 +0.028 A ATOM 33 C LIG 1 -7.656 -0.529 -0.854 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -7.071 -0.068 -2.035 0.00 0.00 +0.028 A ATOM 35 C LIG 1 -5.743 0.382 -2.031 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 N LIG 1 -9.001 -0.993 -0.822 0.00 0.00 -0.240 N ATOM 37 N LIG 1 -9.562 -1.441 0.334 0.00 0.00 -0.175 NA ATOM 38 C LIG 1 -10.803 -1.790 -0.001 0.00 0.00 +0.135 A ATOM 39 C LIG 1 -11.073 -1.579 -1.359 0.00 0.00 +0.041 A ATOM 40 C LIG 1 -9.902 -1.067 -1.866 0.00 0.00 +0.114 A ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 22 26 ENDBRANCH 1 21 TORSDOF 6