REMARK Name = BDB011402 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.829 0.865 -0.103 0.00 0.00 +0.054 A ATOM 2 N LIG 1 -0.830 -0.098 -0.267 0.00 0.00 -0.339 N ATOM 3 C LIG 1 0.363 0.561 -0.154 0.00 0.00 +0.057 A ATOM 4 C LIG 1 1.806 0.200 -0.191 0.00 0.00 +0.159 C ATOM 5 N LIG 1 2.399 1.568 -0.053 0.00 0.00 -0.250 N ATOM 6 C LIG 1 1.413 2.579 0.087 0.00 0.00 +0.254 C ATOM 7 O LIG 1 1.539 3.784 0.217 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.152 1.895 0.014 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.221 2.112 0.050 0.00 0.00 +0.041 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -4.081 0.650 -1.304 0.00 0.00 +0.145 A ATOM 11 C LIG 1 -3.221 0.545 -0.122 0.00 0.00 +0.047 A ATOM 12 C LIG 1 -3.773 0.236 1.065 0.00 0.00 +0.084 A ATOM 13 C LIG 1 -5.220 -0.068 1.190 0.00 0.00 +0.252 A ATOM 14 O LIG 1 -5.669 -0.387 2.287 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 -5.966 0.032 0.021 0.00 0.00 -0.315 N ATOM 16 C LIG 1 -7.395 -0.235 0.065 0.00 0.00 +0.152 C ATOM 17 C LIG 1 -5.396 0.392 -1.189 0.00 0.00 +0.135 A BRANCH 10 19 ATOM 18 C LIG 1 -4.171 1.179 -3.641 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -3.412 1.009 -2.453 0.00 0.00 -0.493 OA ENDBRANCH 10 19 ENDBRANCH 1 11 BRANCH 5 20 ATOM 20 C LIG 1 3.812 1.811 -0.042 0.00 0.00 +0.101 A ATOM 21 C LIG 1 4.773 0.935 -0.587 0.00 0.00 +0.237 A ATOM 22 N LIG 1 6.114 1.150 -0.546 0.00 0.00 -0.218 NA ATOM 23 C LIG 1 6.541 2.282 0.052 0.00 0.00 +0.134 A ATOM 24 C LIG 1 5.689 3.216 0.607 0.00 0.00 +0.061 A ATOM 25 CL LIG 1 6.308 4.630 1.357 0.00 0.00 -0.082 Cl ATOM 26 C LIG 1 4.318 2.978 0.556 0.00 0.00 +0.050 A BRANCH 21 27 ATOM 27 O LIG 1 4.341 -0.174 -1.286 0.00 0.00 -0.478 OA ATOM 28 C LIG 1 5.396 -1.004 -1.764 0.00 0.00 +0.279 C ENDBRANCH 21 27 ENDBRANCH 5 20 BRANCH 4 29 ATOM 29 C LIG 1 2.192 -0.741 0.942 0.00 0.00 -0.021 A ATOM 30 C LIG 1 2.632 -2.044 0.651 0.00 0.00 +0.007 A ATOM 31 C LIG 1 2.976 -2.929 1.676 0.00 0.00 +0.020 A ATOM 32 C LIG 1 2.879 -2.522 3.004 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 3.300 -3.613 4.265 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 2.441 -1.238 3.316 0.00 0.00 +0.020 A ATOM 35 C LIG 1 2.098 -0.353 2.291 0.00 0.00 +0.007 A ENDBRANCH 4 29 BRANCH 2 36 ATOM 36 C LIG 1 -0.941 -1.537 -0.509 0.00 0.00 +0.081 C ATOM 37 C LIG 1 -1.356 -2.316 0.738 0.00 0.00 +0.030 C ATOM 38 C LIG 1 -1.781 -1.916 -1.728 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6