REMARK Name = BDB012534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.577 -0.368 -0.917 0.00 0.00 -0.253 N ATOM 2 C LIG 1 -0.755 0.114 0.250 0.00 0.00 +0.159 C ATOM 3 C LIG 1 0.567 -0.395 -0.156 0.00 0.00 +0.057 A ATOM 4 C LIG 1 0.570 -1.002 -1.374 0.00 0.00 +0.061 A ATOM 5 C LIG 1 1.881 -1.394 -1.662 0.00 0.00 +0.042 A ATOM 6 C LIG 1 2.663 -1.002 -0.573 0.00 0.00 +0.067 A ATOM 7 N LIG 1 1.815 -0.420 0.360 0.00 0.00 -0.337 N ATOM 8 C LIG 1 -0.764 -1.006 -1.906 0.00 0.00 +0.254 C ATOM 9 O LIG 1 -1.068 -1.493 -2.981 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 17 ATOM 10 C LIG 1 -5.846 0.911 1.309 0.00 0.00 +0.049 C ATOM 11 C LIG 1 -5.052 0.413 0.143 0.00 0.00 +0.016 A ATOM 12 C LIG 1 -5.820 0.082 -1.097 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -7.037 0.240 -1.127 0.00 0.00 -0.267 OA ATOM 14 N LIG 1 -5.063 -0.405 -2.156 0.00 0.00 -0.316 N ATOM 15 C LIG 1 -5.729 -0.759 -3.401 0.00 0.00 +0.152 C ATOM 16 C LIG 1 -3.685 -0.549 -2.088 0.00 0.00 +0.112 A ATOM 17 C LIG 1 -2.968 -0.239 -0.990 0.00 0.00 +0.054 A ATOM 18 C LIG 1 -3.719 0.247 0.161 0.00 0.00 +0.033 A ENDBRANCH 1 17 BRANCH 6 19 ATOM 19 C LIG 1 4.058 -1.112 -0.327 0.00 0.00 +0.068 A ATOM 20 N LIG 1 4.637 -2.342 -0.016 0.00 0.00 -0.310 N ATOM 21 C LIG 1 3.828 -3.552 0.051 0.00 0.00 +0.152 C ATOM 22 C LIG 1 6.011 -2.471 0.204 0.00 0.00 +0.252 A ATOM 23 O LIG 1 6.588 -3.522 0.473 0.00 0.00 -0.268 OA ATOM 24 C LIG 1 6.819 -1.227 0.103 0.00 0.00 +0.070 A ATOM 25 C LIG 1 6.234 -0.064 -0.200 0.00 0.00 +0.007 A ATOM 26 C LIG 1 4.815 -0.005 -0.430 0.00 0.00 +0.028 A ENDBRANCH 6 19 BRANCH 2 27 ATOM 27 C LIG 1 -0.760 1.626 0.420 0.00 0.00 -0.021 A ATOM 28 C LIG 1 -0.624 2.497 -0.676 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -0.614 3.882 -0.492 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -0.734 4.411 0.789 0.00 0.00 +0.041 A ATOM 31 CL LIG 1 -0.718 6.116 1.017 0.00 0.00 -0.084 Cl ATOM 32 C LIG 1 -0.864 3.567 1.889 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -0.875 2.182 1.706 0.00 0.00 +0.007 A ENDBRANCH 2 27 BRANCH 7 34 ATOM 34 C LIG 1 2.189 0.154 1.671 0.00 0.00 +0.088 C ATOM 35 C LIG 1 2.924 -0.632 2.731 0.00 0.00 +0.027 C ATOM 36 C LIG 1 1.496 -0.248 2.954 0.00 0.00 +0.027 C ENDBRANCH 7 34 TORSDOF 4