REMARK Name = BDB029408 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.459 -2.393 1.483 0.00 0.00 +0.037 A ATOM 2 C LIG 1 2.218 -1.421 0.818 0.00 0.00 +0.021 A ATOM 3 C LIG 1 3.280 -0.775 1.470 0.00 0.00 -0.017 A ATOM 4 C LIG 1 3.565 -1.143 2.797 0.00 0.00 +0.008 A ATOM 5 C LIG 1 2.823 -2.132 3.451 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.773 -2.764 2.791 0.00 0.00 +0.013 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 4.080 0.251 0.779 0.00 0.00 -0.017 A ATOM 8 C LIG 1 5.481 0.132 0.697 0.00 0.00 +0.014 A ATOM 9 C LIG 1 6.199 1.115 0.037 0.00 0.00 -0.017 A ATOM 10 C LIG 1 7.675 1.232 -0.197 0.00 0.00 +0.133 C ATOM 11 C LIG 1 7.771 2.546 -0.983 0.00 0.00 +0.222 C ATOM 12 N LIG 1 6.481 3.039 -1.133 0.00 0.00 -0.285 N ATOM 13 H LIG 1 6.279 3.899 -1.620 0.00 0.00 +0.155 HD ATOM 14 O LIG 1 8.788 3.071 -1.404 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 5.551 2.204 -0.536 0.00 0.00 +0.037 A ATOM 16 C LIG 1 4.186 2.364 -0.482 0.00 0.00 +0.024 A ATOM 17 C LIG 1 3.452 1.375 0.182 0.00 0.00 +0.010 A ENDBRANCH 3 7 BRANCH 1 23 ATOM 18 C LIG 1 -4.167 -0.358 -1.323 0.00 0.00 +0.403 C ATOM 19 N LIG 1 -3.036 -0.961 -0.810 0.00 0.00 -0.264 N ATOM 20 C LIG 1 -2.399 -0.540 0.438 0.00 0.00 +0.130 C ATOM 21 C LIG 1 -0.910 -0.911 0.496 0.00 0.00 +0.127 C ATOM 22 N LIG 1 -0.662 -2.332 0.211 0.00 0.00 -0.295 N ATOM 23 C LIG 1 0.351 -3.089 0.791 0.00 0.00 +0.247 C ATOM 24 O LIG 1 0.376 -4.317 0.758 0.00 0.00 -0.270 OA ATOM 25 C LIG 1 -1.688 -3.039 -0.561 0.00 0.00 +0.127 C ATOM 26 C LIG 1 -2.461 -2.113 -1.504 0.00 0.00 +0.130 C ATOM 27 O LIG 1 -4.692 -0.694 -2.376 0.00 0.00 -0.226 OA BRANCH 18 28 ATOM 28 O LIG 1 -4.619 0.639 -0.519 0.00 0.00 -0.445 OA BRANCH 28 30 ATOM 29 C LIG 1 -7.048 0.506 -0.912 0.00 0.00 +0.055 C ATOM 30 C LIG 1 -5.804 1.400 -0.865 0.00 0.00 +0.107 C ATOM 31 C LIG 1 -5.967 2.406 0.285 0.00 0.00 +0.055 C ATOM 32 C LIG 1 -5.606 2.179 -2.171 0.00 0.00 +0.055 C ENDBRANCH 28 30 ENDBRANCH 18 28 ENDBRANCH 1 23 TORSDOF 4