REMARK Name = BDB060134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.317 -1.057 -0.211 0.00 0.00 -0.192 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.046 -1.518 -0.722 0.00 0.00 +0.057 A ATOM 3 C LIG 1 1.122 -0.871 -0.331 0.00 0.00 -0.002 A ATOM 4 C LIG 1 1.290 0.328 0.542 0.00 0.00 +0.058 C ATOM 5 C LIG 1 2.735 0.716 0.202 0.00 0.00 +0.110 C ATOM 6 N LIG 1 3.436 -0.520 -0.203 0.00 0.00 -0.325 N ATOM 7 C LIG 1 2.392 -1.321 -0.723 0.00 0.00 +0.035 A ATOM 8 C LIG 1 2.508 -2.468 -1.492 0.00 0.00 +0.023 A ATOM 9 C LIG 1 1.349 -3.147 -1.875 0.00 0.00 +0.004 A ATOM 10 C LIG 1 0.085 -2.682 -1.486 0.00 0.00 +0.025 A BRANCH 6 11 ATOM 11 C LIG 1 4.641 -0.390 -1.022 0.00 0.00 +0.140 C BRANCH 11 12 ATOM 12 C LIG 1 5.705 0.414 -0.300 0.00 0.00 -0.030 A ATOM 13 C LIG 1 6.225 -0.040 0.923 0.00 0.00 +0.006 A ATOM 14 C LIG 1 7.208 0.692 1.592 0.00 0.00 +0.020 A ATOM 15 C LIG 1 7.679 1.881 1.040 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 8.889 2.786 1.863 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 7.175 2.344 -0.174 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.191 1.613 -0.844 0.00 0.00 +0.006 A ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 S LIG 1 -2.626 -1.058 -1.324 0.00 0.00 +0.076 S ATOM 20 O LIG 1 -2.169 -0.588 -2.616 0.00 0.00 -0.150 OA ATOM 21 O LIG 1 -3.284 -2.342 -1.220 0.00 0.00 -0.150 OA BRANCH 19 27 ATOM 22 C LIG 1 -6.161 3.400 0.986 0.00 0.00 +0.044 C ATOM 23 C LIG 1 -5.296 2.302 0.441 0.00 0.00 -0.050 A ATOM 24 C LIG 1 -5.730 0.976 0.470 0.00 0.00 +0.008 A ATOM 25 C LIG 1 -4.957 -0.071 -0.071 0.00 0.00 -0.023 A ATOM 26 C LIG 1 -5.560 -1.448 -0.010 0.00 0.00 +0.046 C ATOM 27 C LIG 1 -3.700 0.236 -0.646 0.00 0.00 +0.115 A ATOM 28 C LIG 1 -3.264 1.587 -0.716 0.00 0.00 -0.023 A ATOM 29 C LIG 1 -2.006 2.035 -1.412 0.00 0.00 +0.046 C ATOM 30 C LIG 1 -4.080 2.598 -0.174 0.00 0.00 +0.008 A ENDBRANCH 19 27 ENDBRANCH 1 19 BRANCH 1 31 ATOM 31 C LIG 1 -1.652 -1.515 1.166 0.00 0.00 +0.251 C BRANCH 31 32 ATOM 32 C LIG 1 -2.043 -2.966 1.332 0.00 0.00 +0.324 C ATOM 33 O LIG 1 -1.532 -3.947 0.818 0.00 0.00 -0.249 OA BRANCH 32 34 ATOM 34 O LIG 1 -3.048 -3.131 2.222 0.00 0.00 -0.479 OA ATOM 35 H LIG 1 -3.198 -4.101 2.210 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 8