REMARK Name = BDB061364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.383 0.095 0.357 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -1.080 0.179 0.056 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -0.537 1.393 -0.074 0.00 0.00 +0.219 A ATOM 4 N LIG 1 -1.206 2.534 0.074 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -2.505 2.461 0.393 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -3.133 1.239 0.547 0.00 0.00 +0.087 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -3.776 -3.922 -0.164 0.00 0.00 -0.300 NA ATOM 8 C LIG 1 -2.714 -3.623 0.828 0.00 0.00 +0.103 C ATOM 9 C LIG 1 -2.004 -2.275 0.562 0.00 0.00 +0.122 C ATOM 10 N LIG 1 -2.989 -1.170 0.523 0.00 0.00 -0.313 N ATOM 11 C LIG 1 -4.050 -1.427 -0.475 0.00 0.00 +0.122 C ATOM 12 C LIG 1 -4.730 -2.788 -0.195 0.00 0.00 +0.103 C BRANCH 7 14 ATOM 13 C LIG 1 -3.620 -6.410 -0.044 0.00 0.00 +0.020 C ATOM 14 C LIG 1 -4.487 -5.171 0.146 0.00 0.00 +0.081 C ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 3 15 ATOM 15 N LIG 1 0.809 1.537 -0.408 0.00 0.00 -0.309 N ATOM 16 H LIG 1 0.854 2.498 -0.739 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 1.296 0.525 -1.347 0.00 0.00 +0.092 C ATOM 18 C LIG 1 1.739 -0.775 -0.648 0.00 0.00 +0.130 C ATOM 19 N LIG 1 3.152 -0.593 -0.341 0.00 0.00 -0.296 N ATOM 20 C LIG 1 3.845 -1.527 0.397 0.00 0.00 +0.247 C ATOM 21 O LIG 1 3.372 -2.598 0.765 0.00 0.00 -0.270 OA ATOM 22 C LIG 1 3.661 0.632 -0.932 0.00 0.00 +0.110 C ATOM 23 C LIG 1 2.612 1.012 -1.968 0.00 0.00 +0.043 C BRANCH 20 24 ATOM 24 C LIG 1 5.247 -1.212 0.753 0.00 0.00 +0.040 A ATOM 25 C LIG 1 6.313 -1.948 0.205 0.00 0.00 -0.037 A ATOM 26 C LIG 1 6.078 -3.077 -0.758 0.00 0.00 +0.044 C ATOM 27 C LIG 1 7.621 -1.625 0.600 0.00 0.00 +0.024 A ATOM 28 C LIG 1 7.851 -0.592 1.512 0.00 0.00 +0.041 A ATOM 29 CL LIG 1 9.463 -0.209 1.977 0.00 0.00 -0.084 Cl ATOM 30 C LIG 1 6.788 0.128 2.054 0.00 0.00 +0.021 A ATOM 31 C LIG 1 5.481 -0.185 1.679 0.00 0.00 +0.015 A ENDBRANCH 20 24 ENDBRANCH 15 17 ENDBRANCH 3 15 BRANCH 5 32 ATOM 32 N LIG 1 -3.283 3.630 0.571 0.00 0.00 -0.283 N ATOM 33 H LIG 1 -3.835 3.549 1.414 0.00 0.00 +0.155 HD BRANCH 32 34 ATOM 34 C LIG 1 -3.006 4.878 0.128 0.00 0.00 +0.146 A ATOM 35 N LIG 1 -2.269 5.227 -0.930 0.00 0.00 -0.158 NA ATOM 36 N LIG 1 -2.314 6.564 -0.952 0.00 0.00 -0.280 N ATOM 37 H LIG 1 -1.795 7.045 -1.678 0.00 0.00 +0.189 HD ATOM 38 C LIG 1 -3.091 7.104 0.033 0.00 0.00 +0.035 A ATOM 39 C LIG 1 -3.290 8.561 0.178 0.00 0.00 +0.065 C ATOM 40 C LIG 1 -3.561 6.027 0.750 0.00 0.00 +0.068 A ENDBRANCH 32 34 ENDBRANCH 5 32 TORSDOF 7