REMARK Name = BDB058746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.590 -0.230 -1.222 0.00 0.00 +0.197 A ATOM 2 N LIG 1 0.644 0.163 -0.721 0.00 0.00 -0.269 N ATOM 3 C LIG 1 1.499 -0.858 -1.127 0.00 0.00 +0.186 A ATOM 4 N LIG 1 0.828 -1.744 -1.840 0.00 0.00 -0.126 NA ATOM 5 N LIG 1 -0.483 -1.364 -1.877 0.00 0.00 -0.122 NA ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 2.877 -1.066 -0.804 0.00 0.00 +0.085 A ATOM 7 N LIG 1 3.680 -1.817 -1.631 0.00 0.00 -0.352 N ATOM 8 H LIG 1 3.355 -2.271 -2.475 0.00 0.00 +0.166 HD ATOM 9 C LIG 1 4.963 -1.882 -1.138 0.00 0.00 +0.047 A ATOM 10 C LIG 1 4.971 -1.187 0.070 0.00 0.00 +0.000 A ATOM 11 C LIG 1 6.171 -1.111 0.802 0.00 0.00 +0.010 A ATOM 12 C LIG 1 7.321 -1.729 0.296 0.00 0.00 +0.001 A ATOM 13 C LIG 1 7.283 -2.418 -0.916 0.00 0.00 +0.002 A ATOM 14 C LIG 1 6.100 -2.510 -1.657 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.651 -0.697 0.280 0.00 0.00 +0.039 A ENDBRANCH 3 6 BRANCH 2 16 ATOM 16 C LIG 1 0.970 1.351 -0.011 0.00 0.00 +0.051 A ATOM 17 C LIG 1 2.124 2.074 -0.350 0.00 0.00 +0.026 A ATOM 18 C LIG 1 2.445 3.241 0.346 0.00 0.00 +0.002 A ATOM 19 C LIG 1 1.622 3.690 1.377 0.00 0.00 +0.000 A ATOM 20 C LIG 1 0.475 2.974 1.718 0.00 0.00 +0.002 A ATOM 21 C LIG 1 0.146 1.806 1.027 0.00 0.00 +0.026 A ENDBRANCH 2 16 BRANCH 1 22 ATOM 22 S LIG 1 -2.040 0.723 -1.181 0.00 0.00 -0.078 S BRANCH 22 23 ATOM 23 C LIG 1 -3.264 -0.515 -1.706 0.00 0.00 +0.154 C BRANCH 23 27 ATOM 24 S LIG 1 -7.685 1.362 0.417 0.00 0.00 -0.011 S ATOM 25 C LIG 1 -6.438 0.857 -0.559 0.00 0.00 +0.180 A ATOM 26 N LIG 1 -5.232 0.237 -0.277 0.00 0.00 -0.275 N ATOM 27 C LIG 1 -4.651 0.039 -1.494 0.00 0.00 +0.147 A ATOM 28 N LIG 1 -5.371 0.442 -2.510 0.00 0.00 -0.157 NA ATOM 29 N LIG 1 -6.495 0.958 -1.945 0.00 0.00 -0.254 N ATOM 30 H LIG 1 -7.250 1.352 -2.496 0.00 0.00 +0.191 HD BRANCH 26 31 ATOM 31 C LIG 1 -4.693 -0.051 0.997 0.00 0.00 +0.050 A ATOM 32 C LIG 1 -4.165 -1.315 1.286 0.00 0.00 +0.026 A ATOM 33 C LIG 1 -3.605 -1.586 2.538 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -3.570 -0.597 3.517 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.100 0.661 3.247 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -4.660 0.932 1.995 0.00 0.00 +0.026 A ENDBRANCH 26 31 ENDBRANCH 23 27 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 6