REMARK Name = BDB011347 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.871 1.107 0.263 0.00 0.00 +0.054 A ATOM 2 N LIG 1 -0.964 0.418 -0.545 0.00 0.00 -0.339 N ATOM 3 C LIG 1 0.284 0.801 -0.138 0.00 0.00 +0.057 A ATOM 4 C LIG 1 1.685 0.467 -0.489 0.00 0.00 +0.159 C ATOM 5 N LIG 1 2.416 1.405 0.436 0.00 0.00 -0.253 N ATOM 6 C LIG 1 1.509 2.146 1.253 0.00 0.00 +0.254 C ATOM 7 O LIG 1 1.727 2.988 2.107 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.194 1.730 0.851 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.154 1.941 1.123 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.808 1.550 0.426 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.589 1.005 -0.529 0.00 0.00 +0.112 A ATOM 12 N LIG 1 5.969 1.143 -0.553 0.00 0.00 -0.315 N ATOM 13 C LIG 1 6.709 0.514 -1.637 0.00 0.00 +0.152 C ATOM 14 C LIG 1 6.668 1.873 0.412 0.00 0.00 +0.270 A ATOM 15 O LIG 1 7.887 2.023 0.399 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 5.816 2.469 1.486 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 6.593 3.353 2.745 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 4.486 2.304 1.471 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 1 20 ATOM 19 C LIG 1 -4.027 -0.132 0.876 0.00 0.00 +0.145 A ATOM 20 C LIG 1 -3.284 0.915 0.173 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -3.960 1.839 -0.534 0.00 0.00 +0.084 A ATOM 22 C LIG 1 -5.435 1.771 -0.683 0.00 0.00 +0.252 A ATOM 23 O LIG 1 -6.003 2.613 -1.373 0.00 0.00 -0.268 OA ATOM 24 N LIG 1 -6.066 0.727 -0.018 0.00 0.00 -0.315 N ATOM 25 C LIG 1 -7.513 0.603 -0.100 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -5.366 -0.187 0.751 0.00 0.00 +0.135 A BRANCH 19 28 ATOM 27 C LIG 1 -3.875 -1.994 2.380 0.00 0.00 +0.277 C ATOM 28 O LIG 1 -3.236 -0.975 1.623 0.00 0.00 -0.493 OA ENDBRANCH 19 28 ENDBRANCH 1 20 BRANCH 4 29 ATOM 29 C LIG 1 2.014 -0.999 -0.247 0.00 0.00 -0.021 A ATOM 30 C LIG 1 2.319 -1.838 -1.334 0.00 0.00 +0.007 A ATOM 31 C LIG 1 2.608 -3.190 -1.133 0.00 0.00 +0.020 A ATOM 32 C LIG 1 2.593 -3.718 0.155 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 2.944 -5.384 0.399 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 2.290 -2.907 1.245 0.00 0.00 +0.020 A ATOM 35 C LIG 1 2.001 -1.555 1.045 0.00 0.00 +0.007 A ENDBRANCH 4 29 BRANCH 2 36 ATOM 36 C LIG 1 -1.206 -0.525 -1.639 0.00 0.00 +0.081 C ATOM 37 C LIG 1 -1.634 -1.908 -1.154 0.00 0.00 +0.030 C ATOM 38 C LIG 1 -2.123 0.004 -2.742 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 5