REMARK Name = BDB003775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.547 -1.103 0.512 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -0.934 -2.012 0.722 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -4.357 3.095 -2.294 0.00 0.00 +0.152 C ATOM 4 N LIG 1 -4.756 2.010 -1.397 0.00 0.00 -0.307 N ATOM 5 C LIG 1 -3.715 1.207 -0.826 0.00 0.00 +0.106 A ATOM 6 C LIG 1 -3.845 -0.126 -0.442 0.00 0.00 +0.163 A ATOM 7 N LIG 1 -2.775 -0.854 -0.021 0.00 0.00 -0.195 NA ATOM 8 C LIG 1 -1.570 -0.275 0.060 0.00 0.00 +0.221 A ATOM 9 N LIG 1 -1.356 0.993 -0.279 0.00 0.00 -0.220 NA ATOM 10 N LIG 1 -5.098 -0.788 -0.509 0.00 0.00 -0.326 N ATOM 11 C LIG 1 -4.968 -2.248 -0.550 0.00 0.00 +0.151 C ATOM 12 C LIG 1 -6.204 -0.262 0.188 0.00 0.00 +0.056 A ATOM 13 C LIG 1 -6.668 1.032 -0.076 0.00 0.00 +0.063 A ATOM 14 C LIG 1 -7.769 1.558 0.632 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -8.407 0.815 1.620 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -7.958 -0.466 1.899 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -6.875 -0.996 1.190 0.00 0.00 +0.026 A ATOM 18 C LIG 1 -2.421 1.694 -0.716 0.00 0.00 +0.144 A ATOM 19 C LIG 1 -6.130 1.880 -1.165 0.00 0.00 +0.261 A ATOM 20 O LIG 1 -6.959 2.558 -1.782 0.00 0.00 -0.267 OA ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 0.804 -0.901 0.818 0.00 0.00 +0.035 A ATOM 22 C LIG 1 1.445 0.342 0.736 0.00 0.00 +0.044 A ATOM 23 C LIG 1 2.809 0.480 1.028 0.00 0.00 +0.055 A ATOM 24 CL LIG 1 3.500 2.062 0.947 0.00 0.00 -0.083 Cl ATOM 25 C LIG 1 3.555 -0.642 1.384 0.00 0.00 +0.055 A ATOM 26 C LIG 1 2.936 -1.890 1.486 0.00 0.00 +0.016 A ATOM 27 C LIG 1 1.575 -2.014 1.195 0.00 0.00 +0.024 A BRANCH 25 28 ATOM 28 C LIG 1 4.990 -0.564 1.707 0.00 0.00 +0.248 C ATOM 29 N LIG 1 5.903 -0.403 0.666 0.00 0.00 -0.297 N ATOM 30 C LIG 1 7.313 -0.239 1.011 0.00 0.00 +0.110 C ATOM 31 C LIG 1 8.063 0.587 -0.028 0.00 0.00 +0.050 C ATOM 32 C LIG 1 7.933 -0.007 -1.433 0.00 0.00 +0.118 C ATOM 33 C LIG 1 6.729 -0.933 -1.598 0.00 0.00 +0.050 C ATOM 34 C LIG 1 5.554 -0.458 -0.757 0.00 0.00 +0.110 C ATOM 35 O LIG 1 5.311 -0.684 2.887 0.00 0.00 -0.270 OA BRANCH 32 36 ATOM 36 O LIG 1 9.120 -0.719 -1.780 0.00 0.00 -0.392 OA ATOM 37 H LIG 1 9.249 -1.433 -1.132 0.00 0.00 +0.210 HD ENDBRANCH 32 36 ENDBRANCH 25 28 ENDBRANCH 1 21 TORSDOF 4