REMARK Name = BDB010313 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.973 -2.177 0.392 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.611 -1.915 0.493 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.219 -2.831 1.120 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.512 -2.404 1.149 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.513 -1.238 0.551 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.193 -3.996 1.639 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.507 -4.193 1.477 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.252 -0.922 0.074 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.393 -3.356 0.891 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.577 -0.399 0.387 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -3.813 -1.034 -0.165 0.00 0.00 +0.106 C ATOM 12 C LIG 1 -4.610 -1.759 0.944 0.00 0.00 +0.027 C ATOM 13 C LIG 1 -4.862 -0.894 2.178 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -3.571 -0.263 2.676 0.00 0.00 +0.019 C ATOM 15 C LIG 1 -2.847 0.473 1.553 0.00 0.00 +0.108 C BRANCH 11 16 ATOM 16 C LIG 1 -4.585 -0.004 -1.005 0.00 0.00 -0.027 A ATOM 17 C LIG 1 -5.960 0.250 -0.856 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -6.609 1.195 -1.659 0.00 0.00 +0.038 A ATOM 19 C LIG 1 -5.894 1.885 -2.628 0.00 0.00 +0.123 A ATOM 20 F LIG 1 -6.518 2.788 -3.394 0.00 0.00 -0.205 F ATOM 21 C LIG 1 -4.541 1.644 -2.818 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -3.895 0.701 -2.016 0.00 0.00 +0.008 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 23 ATOM 23 N LIG 1 2.882 -1.297 -0.179 0.00 0.00 -0.324 N ATOM 24 H LIG 1 2.638 -0.327 -0.032 0.00 0.00 +0.148 HD BRANCH 23 26 ATOM 25 C LIG 1 4.783 -1.129 1.369 0.00 0.00 +0.028 C ATOM 26 C LIG 1 4.314 -1.571 -0.020 0.00 0.00 +0.072 C BRANCH 26 27 ATOM 27 C LIG 1 5.078 -0.775 -1.083 0.00 0.00 +0.009 C ATOM 28 C LIG 1 6.577 -1.130 -1.295 0.00 0.00 +0.005 C ATOM 29 C LIG 1 6.351 -0.874 -2.798 0.00 0.00 +0.001 C ATOM 30 C LIG 1 4.867 -1.216 -2.559 0.00 0.00 +0.005 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 7 31 ATOM 31 C LIG 1 2.089 -5.471 2.022 0.00 0.00 +0.375 C ATOM 32 O LIG 1 3.263 -5.804 2.005 0.00 0.00 -0.242 OA BRANCH 31 33 ATOM 33 O LIG 1 1.168 -6.292 2.580 0.00 0.00 -0.475 OA ATOM 34 H LIG 1 1.688 -7.060 2.888 0.00 0.00 +0.296 HD ENDBRANCH 31 33 ENDBRANCH 7 31 BRANCH 8 35 ATOM 35 C LIG 1 0.041 0.134 -0.879 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 0.048 1.568 -0.320 0.00 0.00 +0.009 C ATOM 37 C LIG 1 0.295 2.579 -1.457 0.00 0.00 +0.005 C ATOM 38 C LIG 1 0.991 3.865 -1.002 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.618 4.296 0.421 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -0.830 4.790 0.495 0.00 0.00 +0.007 C ATOM 41 C LIG 1 0.889 3.175 1.442 0.00 0.00 +0.003 C ATOM 42 C LIG 1 1.046 1.783 0.821 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 9