REMARK Name = BDB060142 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.875 0.913 1.340 0.00 0.00 +0.057 A ATOM 2 C LIG 1 0.883 0.613 0.416 0.00 0.00 -0.002 A ATOM 3 C LIG 1 0.508 -0.714 -0.160 0.00 0.00 +0.058 C ATOM 4 C LIG 1 -0.827 -0.368 -0.839 0.00 0.00 +0.110 C ATOM 5 N LIG 1 -0.818 1.079 -1.090 0.00 0.00 -0.325 N ATOM 6 C LIG 1 0.092 1.608 -0.175 0.00 0.00 +0.035 A ATOM 7 C LIG 1 0.305 2.936 0.155 0.00 0.00 +0.023 A ATOM 8 C LIG 1 1.277 3.255 1.107 0.00 0.00 +0.004 A ATOM 9 C LIG 1 2.046 2.248 1.708 0.00 0.00 +0.025 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 2.604 -0.154 1.963 0.00 0.00 -0.192 N BRANCH 10 11 ATOM 11 S LIG 1 4.291 -0.223 1.711 0.00 0.00 +0.076 S ATOM 12 O LIG 1 4.791 -1.381 2.427 0.00 0.00 -0.150 OA ATOM 13 O LIG 1 4.875 1.071 1.986 0.00 0.00 -0.150 OA BRANCH 11 19 ATOM 14 C LIG 1 4.702 -1.581 -4.262 0.00 0.00 +0.044 C ATOM 15 C LIG 1 4.618 -1.246 -2.802 0.00 0.00 -0.050 A ATOM 16 C LIG 1 4.891 0.047 -2.355 0.00 0.00 +0.008 A ATOM 17 C LIG 1 4.797 0.397 -0.993 0.00 0.00 -0.023 A ATOM 18 C LIG 1 5.147 1.818 -0.640 0.00 0.00 +0.046 C ATOM 19 C LIG 1 4.398 -0.591 -0.059 0.00 0.00 +0.115 A ATOM 20 C LIG 1 4.095 -1.905 -0.507 0.00 0.00 -0.023 A ATOM 21 C LIG 1 3.669 -3.031 0.399 0.00 0.00 +0.046 C ATOM 22 C LIG 1 4.215 -2.208 -1.876 0.00 0.00 +0.008 A ENDBRANCH 11 19 ENDBRANCH 10 11 BRANCH 10 23 ATOM 23 C LIG 1 2.141 -0.573 3.308 0.00 0.00 +0.251 C BRANCH 23 24 ATOM 24 C LIG 1 2.832 0.059 4.492 0.00 0.00 +0.324 C ATOM 25 O LIG 1 3.258 1.198 4.588 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 O LIG 1 2.894 -0.768 5.558 0.00 0.00 -0.479 OA ATOM 27 H LIG 1 3.386 -0.246 6.228 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 10 23 ENDBRANCH 1 10 BRANCH 5 28 ATOM 28 C LIG 1 -2.028 1.769 -1.516 0.00 0.00 +0.140 C BRANCH 28 29 ATOM 29 C LIG 1 -3.204 1.562 -0.585 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -4.236 0.671 -0.935 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -5.340 0.452 -0.092 0.00 0.00 -0.018 A ATOM 32 C LIG 1 -5.391 1.152 1.123 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -4.375 2.037 1.485 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -3.288 2.241 0.636 0.00 0.00 +0.005 A BRANCH 31 35 ATOM 35 C LIG 1 -6.409 -0.486 -0.473 0.00 0.00 -0.018 A ATOM 36 C LIG 1 -7.753 -0.080 -0.497 0.00 0.00 +0.008 A ATOM 37 C LIG 1 -8.769 -0.970 -0.859 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.456 -2.282 -1.202 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.129 -2.706 -1.183 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -6.115 -1.815 -0.823 0.00 0.00 +0.008 A ENDBRANCH 31 35 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 9