REMARK Name = BDB064786 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -3.993 1.782 0.469 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -3.318 0.886 -0.034 0.00 0.00 +0.249 C ATOM 3 N LIG 1 -1.968 0.687 0.247 0.00 0.00 -0.294 N ATOM 4 C LIG 1 -1.355 1.569 1.247 0.00 0.00 +0.127 C ATOM 5 C LIG 1 0.171 1.698 1.085 0.00 0.00 +0.124 C ATOM 6 N LIG 1 0.806 0.358 0.987 0.00 0.00 -0.327 N ATOM 7 C LIG 1 0.228 -0.455 -0.104 0.00 0.00 +0.124 C ATOM 8 C LIG 1 -1.290 -0.610 0.092 0.00 0.00 +0.127 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 2.205 0.396 1.111 0.00 0.00 +0.032 A ATOM 10 C LIG 1 2.778 0.811 2.328 0.00 0.00 +0.051 A ATOM 11 C LIG 1 4.151 0.862 2.553 0.00 0.00 +0.076 A ATOM 12 C LIG 1 5.011 0.472 1.512 0.00 0.00 +0.042 A ATOM 13 C LIG 1 6.393 0.509 1.772 0.00 0.00 +0.131 A ATOM 14 C LIG 1 6.874 0.960 2.994 0.00 0.00 +0.066 A ATOM 15 C LIG 1 5.945 1.326 3.944 0.00 0.00 +0.115 A ATOM 16 C LIG 1 4.465 0.057 0.282 0.00 0.00 +0.015 A ATOM 17 N LIG 1 4.609 1.276 3.751 0.00 0.00 -0.255 NA ATOM 18 C LIG 1 3.082 0.015 0.092 0.00 0.00 +0.024 A BRANCH 13 19 ATOM 19 O LIG 1 7.271 0.152 0.778 0.00 0.00 -0.489 OA BRANCH 19 20 ATOM 20 C LIG 1 7.993 -1.042 1.116 0.00 0.00 +0.252 C BRANCH 20 21 ATOM 21 C LIG 1 8.597 -1.644 -0.155 0.00 0.00 +0.188 C BRANCH 21 22 ATOM 22 N LIG 1 9.672 -0.816 -0.699 0.00 0.00 -0.226 N ATOM 23 C LIG 1 9.406 0.068 -1.740 0.00 0.00 +0.267 A ATOM 24 O LIG 1 8.329 0.183 -2.320 0.00 0.00 -0.266 OA ATOM 25 C LIG 1 10.541 0.914 -2.175 0.00 0.00 +0.073 A ATOM 26 C LIG 1 11.733 0.815 -1.589 0.00 0.00 +0.027 A ATOM 27 C LIG 1 11.845 -0.162 -0.500 0.00 0.00 +0.133 A ATOM 28 N LIG 1 10.896 -0.926 -0.068 0.00 0.00 -0.177 NA ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 13 19 ENDBRANCH 6 9 BRANCH 2 29 ATOM 29 C LIG 1 -4.002 -0.013 -0.980 0.00 0.00 +0.072 A ATOM 30 C LIG 1 -3.567 -0.129 -2.297 0.00 0.00 +0.135 A ATOM 31 F LIG 1 -2.480 0.529 -2.726 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -4.247 -0.949 -3.191 0.00 0.00 +0.039 A ATOM 33 C LIG 1 -5.385 -1.642 -2.771 0.00 0.00 +0.007 A ATOM 34 C LIG 1 -5.862 -1.507 -1.455 0.00 0.00 -0.041 A ATOM 35 C LIG 1 -5.152 -0.693 -0.558 0.00 0.00 +0.020 A BRANCH 34 36 ATOM 36 C LIG 1 -7.087 -2.284 -1.021 0.00 0.00 +0.093 C BRANCH 36 37 ATOM 37 C LIG 1 -8.000 -1.539 -0.057 0.00 0.00 +0.074 A ATOM 38 C LIG 1 -8.860 -0.431 -0.548 0.00 0.00 +0.011 A ATOM 39 C LIG 1 -9.656 0.219 0.394 0.00 0.00 +0.050 A ATOM 40 C LIG 1 -10.487 1.280 0.014 0.00 0.00 +0.014 A ATOM 41 C LIG 1 -10.520 1.691 -1.318 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -9.730 1.041 -2.265 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -9.619 -0.224 1.796 0.00 0.00 +0.272 A ATOM 44 O LIG 1 -10.313 0.308 2.656 0.00 0.00 -0.266 OA ATOM 45 N LIG 1 -8.774 -1.269 2.077 0.00 0.00 -0.242 N ATOM 46 H LIG 1 -8.727 -1.580 3.043 0.00 0.00 +0.192 HD ATOM 47 C LIG 1 -8.903 -0.021 -1.886 0.00 0.00 +0.010 A ATOM 48 N LIG 1 -7.976 -1.918 1.188 0.00 0.00 -0.175 NA ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 2 29 TORSDOF 8