REMARK Name = BDB064993 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.352 1.809 -0.175 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 0.563 0.734 0.373 0.00 0.00 +0.248 C ATOM 3 N LIG 1 1.783 0.101 0.522 0.00 0.00 -0.281 N ATOM 4 H LIG 1 1.767 -0.846 0.881 0.00 0.00 +0.155 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 3.053 0.586 0.141 0.00 0.00 +0.036 A ATOM 6 C LIG 1 4.143 -0.280 0.321 0.00 0.00 +0.052 A ATOM 7 C LIG 1 5.447 0.128 -0.028 0.00 0.00 +0.080 A ATOM 8 C LIG 1 5.634 1.408 -0.552 0.00 0.00 +0.039 A ATOM 9 S LIG 1 7.308 1.640 -0.887 0.00 0.00 -0.075 S ATOM 10 C LIG 1 7.630 0.057 -0.320 0.00 0.00 +0.157 A ATOM 11 C LIG 1 4.561 2.290 -0.737 0.00 0.00 +0.019 A ATOM 12 N LIG 1 6.597 -0.636 0.102 0.00 0.00 -0.247 NA ATOM 13 C LIG 1 3.275 1.859 -0.381 0.00 0.00 +0.024 A ENDBRANCH 3 5 BRANCH 2 14 ATOM 14 C LIG 1 -0.603 -0.018 0.917 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -1.821 0.051 0.227 0.00 0.00 +0.021 A ATOM 16 C LIG 1 -2.958 -0.631 0.691 0.00 0.00 -0.017 A ATOM 17 C LIG 1 -2.839 -1.379 1.875 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -1.631 -1.438 2.577 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -0.513 -0.755 2.103 0.00 0.00 +0.013 A BRANCH 16 20 ATOM 20 C LIG 1 -4.237 -0.558 -0.036 0.00 0.00 -0.015 A ATOM 21 C LIG 1 -4.785 0.673 -0.416 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -5.992 0.693 -1.098 0.00 0.00 +0.111 A ATOM 23 N LIG 1 -6.686 -0.415 -1.428 0.00 0.00 -0.263 NA ATOM 24 C LIG 1 -6.147 -1.595 -1.060 0.00 0.00 +0.111 A ATOM 25 C LIG 1 -4.948 -1.715 -0.375 0.00 0.00 +0.028 A ENDBRANCH 16 20 ENDBRANCH 2 14 TORSDOF 3