REMARK Name = BDB028668 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.583 -1.302 0.847 0.00 0.00 +0.192 A ATOM 2 C LIG 1 -0.758 -1.302 0.385 0.00 0.00 +0.106 A ATOM 3 C LIG 1 -1.484 -0.896 1.487 0.00 0.00 +0.173 A ATOM 4 C LIG 1 -2.867 -0.751 1.508 0.00 0.00 +0.055 A ATOM 5 C LIG 1 -3.546 -1.040 0.311 0.00 0.00 -0.019 A ATOM 6 C LIG 1 -2.829 -1.450 -0.832 0.00 0.00 +0.052 A ATOM 7 O LIG 1 -0.637 -0.664 2.524 0.00 0.00 -0.353 OA ATOM 8 C LIG 1 -1.428 -1.589 -0.821 0.00 0.00 +0.135 A ATOM 9 N LIG 1 0.664 -0.914 2.122 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 1.666 -1.641 0.051 0.00 0.00 -0.196 N ATOM 11 H LIG 1 1.498 -1.903 -0.918 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 3.251 -1.667 0.550 0.00 0.00 +0.074 S ATOM 13 O LIG 1 3.363 -2.519 1.715 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 4.048 -1.946 -0.628 0.00 0.00 -0.150 OA BRANCH 12 16 ATOM 15 C LIG 1 3.548 1.083 0.089 0.00 0.00 +0.005 A ATOM 16 C LIG 1 3.586 0.023 1.016 0.00 0.00 +0.114 A ATOM 17 C LIG 1 3.923 0.262 2.360 0.00 0.00 +0.029 A ATOM 18 C LIG 1 4.217 1.552 2.795 0.00 0.00 +0.002 A ATOM 19 C LIG 1 4.182 2.610 1.894 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.850 2.378 0.559 0.00 0.00 +0.008 A BRANCH 15 21 ATOM 21 C LIG 1 3.176 0.944 -1.368 0.00 0.00 +0.196 C BRANCH 21 23 ATOM 22 C LIG 1 5.269 0.614 -2.432 0.00 0.00 +0.194 C ATOM 23 O LIG 1 4.177 1.503 -2.221 0.00 0.00 -0.378 OA ENDBRANCH 21 23 ENDBRANCH 15 21 ENDBRANCH 12 16 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 8 24 ATOM 24 O LIG 1 -0.656 -1.972 -1.885 0.00 0.00 -0.494 OA ATOM 25 C LIG 1 -1.334 -2.342 -3.081 0.00 0.00 +0.277 C ENDBRANCH 8 24 BRANCH 5 26 ATOM 26 C LIG 1 -5.052 -0.894 0.257 0.00 0.00 +0.178 C BRANCH 26 27 ATOM 27 N LIG 1 -5.450 0.506 0.226 0.00 0.00 -0.267 N ATOM 28 N LIG 1 -5.834 1.125 1.362 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 -6.132 2.363 0.962 0.00 0.00 +0.134 A ATOM 30 C LIG 1 -5.957 2.537 -0.423 0.00 0.00 +0.041 A ATOM 31 C LIG 1 -5.521 1.314 -0.876 0.00 0.00 +0.108 A ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 8