REMARK Name = BDB064784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.021 2.639 0.952 0.00 0.00 +0.029 C ATOM 2 C LIG 1 -2.679 1.316 0.540 0.00 0.00 +0.091 C ATOM 3 N LIG 1 -3.428 1.468 -0.732 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -4.697 2.043 -0.820 0.00 0.00 +0.250 C ATOM 5 O LIG 1 -5.178 2.487 -1.859 0.00 0.00 -0.270 OA ATOM 6 C LIG 1 -2.602 1.493 -1.946 0.00 0.00 +0.127 C ATOM 7 C LIG 1 -1.560 0.362 -1.990 0.00 0.00 +0.124 C ATOM 8 N LIG 1 -0.770 0.328 -0.740 0.00 0.00 -0.327 N ATOM 9 C LIG 1 -1.629 0.177 0.461 0.00 0.00 +0.127 C ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 0.386 -0.468 -0.712 0.00 0.00 +0.032 A ATOM 11 C LIG 1 0.669 -1.465 -1.660 0.00 0.00 +0.051 A ATOM 12 C LIG 1 1.833 -2.231 -1.639 0.00 0.00 +0.076 A ATOM 13 C LIG 1 2.783 -1.988 -0.632 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.959 -2.765 -0.664 0.00 0.00 +0.131 A ATOM 15 C LIG 1 4.133 -3.757 -1.618 0.00 0.00 +0.066 A ATOM 16 C LIG 1 3.133 -3.919 -2.552 0.00 0.00 +0.115 A ATOM 17 C LIG 1 2.520 -1.001 0.337 0.00 0.00 +0.015 A ATOM 18 N LIG 1 2.006 -3.175 -2.585 0.00 0.00 -0.255 NA ATOM 19 C LIG 1 1.344 -0.252 0.286 0.00 0.00 +0.024 A BRANCH 14 20 ATOM 20 O LIG 1 4.944 -2.616 0.281 0.00 0.00 -0.489 OA BRANCH 20 21 ATOM 21 C LIG 1 5.863 -1.585 -0.117 0.00 0.00 +0.252 C BRANCH 21 22 ATOM 22 C LIG 1 6.865 -1.374 1.014 0.00 0.00 +0.188 C BRANCH 22 23 ATOM 23 N LIG 1 7.662 -0.169 0.821 0.00 0.00 -0.226 N ATOM 24 C LIG 1 7.158 1.054 1.248 0.00 0.00 +0.267 A ATOM 25 O LIG 1 6.078 1.210 1.813 0.00 0.00 -0.266 OA ATOM 26 C LIG 1 8.011 2.232 0.984 0.00 0.00 +0.074 A ATOM 27 C LIG 1 9.161 2.114 0.316 0.00 0.00 +0.035 A ATOM 28 C LIG 1 9.518 0.759 -0.139 0.00 0.00 +0.095 A ATOM 29 N LIG 1 8.826 -0.312 0.093 0.00 0.00 -0.168 NA BRANCH 28 30 ATOM 30 C LIG 1 10.739 0.627 -0.911 0.00 0.00 +0.039 A ATOM 31 C LIG 1 11.597 1.604 -1.386 0.00 0.00 +0.118 A ATOM 32 N LIG 1 12.589 0.957 -2.069 0.00 0.00 -0.274 N ATOM 33 C LIG 1 13.706 1.555 -2.760 0.00 0.00 +0.172 C ATOM 34 N LIG 1 12.453 -0.378 -2.070 0.00 0.00 -0.179 NA ATOM 35 C LIG 1 11.330 -0.577 -1.374 0.00 0.00 +0.144 A ENDBRANCH 28 30 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 14 20 ENDBRANCH 8 10 BRANCH 4 36 ATOM 36 C LIG 1 -5.544 2.070 0.381 0.00 0.00 +0.072 A ATOM 37 C LIG 1 -5.881 3.288 0.959 0.00 0.00 +0.135 A ATOM 38 F LIG 1 -5.401 4.440 0.474 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -6.697 3.323 2.085 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -7.189 2.132 2.627 0.00 0.00 +0.007 A ATOM 41 C LIG 1 -6.882 0.895 2.036 0.00 0.00 -0.041 A ATOM 42 C LIG 1 -6.046 0.873 0.908 0.00 0.00 +0.020 A BRANCH 41 43 ATOM 43 C LIG 1 -7.399 -0.389 2.649 0.00 0.00 +0.093 C BRANCH 43 44 ATOM 44 C LIG 1 -7.967 -1.371 1.634 0.00 0.00 +0.074 A ATOM 45 C LIG 1 -9.334 -1.173 1.088 0.00 0.00 +0.011 A ATOM 46 C LIG 1 -9.800 -2.124 0.182 0.00 0.00 +0.050 A ATOM 47 C LIG 1 -11.080 -2.014 -0.374 0.00 0.00 +0.014 A ATOM 48 C LIG 1 -11.898 -0.943 -0.022 0.00 0.00 +0.001 A ATOM 49 C LIG 1 -11.437 0.015 0.880 0.00 0.00 +0.001 A ATOM 50 C LIG 1 -8.927 -3.249 -0.191 0.00 0.00 +0.272 A ATOM 51 O LIG 1 -9.301 -4.119 -0.971 0.00 0.00 -0.266 OA ATOM 52 N LIG 1 -7.680 -3.264 0.384 0.00 0.00 -0.242 N ATOM 53 H LIG 1 -7.066 -4.034 0.137 0.00 0.00 +0.192 HD ATOM 54 C LIG 1 -10.159 -0.097 1.437 0.00 0.00 +0.010 A ATOM 55 N LIG 1 -7.201 -2.363 1.283 0.00 0.00 -0.175 NA ENDBRANCH 43 44 ENDBRANCH 41 43 ENDBRANCH 4 36 TORSDOF 9