REMARK Name = BDB004767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.313 2.261 1.119 0.00 0.00 +0.138 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.695 1.750 0.115 0.00 0.00 -0.029 A ATOM 3 C LIG 1 1.660 0.799 0.493 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.588 0.299 -0.432 0.00 0.00 +0.034 A ATOM 5 C LIG 1 2.537 0.753 -1.749 0.00 0.00 +0.023 A ATOM 6 C LIG 1 1.577 1.690 -2.139 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.659 2.184 -1.214 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.521 -0.648 0.044 0.00 0.00 -0.281 N ATOM 9 H LIG 1 3.444 -0.877 1.028 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 4.547 -1.248 -0.658 0.00 0.00 +0.250 C ATOM 11 O LIG 1 4.816 -1.074 -1.842 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 5.368 -2.246 0.094 0.00 0.00 +0.055 A ATOM 13 C LIG 1 5.705 -2.158 1.454 0.00 0.00 +0.054 A ATOM 14 CL LIG 1 5.240 -0.839 2.470 0.00 0.00 -0.083 Cl ATOM 15 C LIG 1 6.482 -3.159 2.053 0.00 0.00 +0.040 A ATOM 16 C LIG 1 6.930 -4.242 1.300 0.00 0.00 +0.042 A ATOM 17 CL LIG 1 7.882 -5.465 2.045 0.00 0.00 -0.083 Cl ATOM 18 C LIG 1 6.617 -4.337 -0.051 0.00 0.00 +0.021 A ATOM 19 C LIG 1 5.843 -3.342 -0.651 0.00 0.00 +0.016 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 -1.475 1.379 1.173 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -1.212 0.428 0.931 0.00 0.00 +0.148 HD BRANCH 20 25 ATOM 22 C LIG 1 -5.963 0.472 -0.419 0.00 0.00 +0.063 A ATOM 23 C LIG 1 -4.826 1.308 -0.392 0.00 0.00 +0.088 A ATOM 24 C LIG 1 -3.736 0.900 0.403 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -2.601 1.741 0.404 0.00 0.00 +0.130 A ATOM 26 N LIG 1 -2.574 2.898 -0.274 0.00 0.00 -0.220 NA ATOM 27 C LIG 1 -3.655 3.201 -0.988 0.00 0.00 +0.223 A ATOM 28 C LIG 1 -3.817 -0.297 1.160 0.00 0.00 +0.013 A ATOM 29 C LIG 1 -4.947 -1.102 1.122 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -4.766 2.464 -1.089 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -6.016 -0.720 0.330 0.00 0.00 +0.015 A BRANCH 22 35 ATOM 32 N LIG 1 -7.198 1.903 -1.994 0.00 0.00 -0.325 N ATOM 33 H LIG 1 -8.027 2.128 -2.525 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 -6.405 2.539 -1.996 0.00 0.00 +0.145 HD ATOM 35 C LIG 1 -7.186 0.776 -1.227 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -8.166 0.037 -1.213 0.00 0.00 -0.270 OA ENDBRANCH 22 35 ENDBRANCH 20 25 ENDBRANCH 1 20 TORSDOF 6