REMARK Name = BDB038676 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.818 -1.189 -0.015 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.450 -1.948 0.911 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -2.805 -1.996 0.942 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.554 -1.280 0.010 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -2.924 -0.477 -0.945 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -1.526 -0.444 -0.945 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.206 -0.937 -0.262 0.00 0.00 -0.021 A ATOM 8 C LIG 1 4.040 -0.512 -0.918 0.00 0.00 +0.019 A ATOM 9 C LIG 1 2.822 -0.895 -0.387 0.00 0.00 +0.042 A ATOM 10 C LIG 1 1.467 -0.593 -0.869 0.00 0.00 +0.253 C ATOM 11 N LIG 1 0.588 -1.200 0.018 0.00 0.00 -0.248 N ATOM 12 C LIG 1 1.278 -1.921 1.073 0.00 0.00 +0.151 C ATOM 13 O LIG 1 1.259 0.053 -1.880 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.717 -1.681 0.756 0.00 0.00 -0.018 A ATOM 15 C LIG 1 3.853 -2.116 1.413 0.00 0.00 +0.006 A ATOM 16 C LIG 1 5.100 -1.743 0.896 0.00 0.00 +0.006 A BRANCH 7 17 ATOM 17 C LIG 1 6.564 -0.562 -0.807 0.00 0.00 +0.195 C BRANCH 17 18 ATOM 18 O LIG 1 6.641 0.833 -1.102 0.00 0.00 -0.373 OA BRANCH 18 19 ATOM 19 C LIG 1 6.929 1.641 0.040 0.00 0.00 +0.188 C BRANCH 19 20 ATOM 20 C LIG 1 8.435 1.786 0.251 0.00 0.00 +0.187 C BRANCH 20 22 ATOM 21 C LIG 1 10.067 2.777 1.632 0.00 0.00 +0.194 C ATOM 22 O LIG 1 8.677 2.565 1.422 0.00 0.00 -0.381 OA ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 23 ATOM 23 C LIG 1 -3.697 0.304 -1.932 0.00 0.00 -0.007 A ATOM 24 C LIG 1 -4.635 1.303 -1.575 0.00 0.00 +0.028 A ATOM 25 C LIG 1 -5.312 2.018 -2.583 0.00 0.00 +0.031 A ATOM 26 C LIG 1 -5.086 1.745 -3.935 0.00 0.00 +0.052 A ATOM 27 C LIG 1 -4.175 0.755 -4.294 0.00 0.00 +0.019 A ATOM 28 C LIG 1 -3.488 0.048 -3.304 0.00 0.00 +0.010 A BRANCH 24 29 ATOM 29 C LIG 1 -4.903 1.652 -0.179 0.00 0.00 +0.164 A ATOM 30 N LIG 1 -6.111 1.524 0.466 0.00 0.00 -0.317 N ATOM 31 C LIG 1 -7.338 0.992 -0.062 0.00 0.00 +0.152 C ATOM 32 C LIG 1 -5.916 1.956 1.741 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -4.667 2.324 1.892 0.00 0.00 -0.138 NA ATOM 34 N LIG 1 -4.030 2.130 0.688 0.00 0.00 -0.129 NA ENDBRANCH 24 29 BRANCH 26 35 ATOM 35 C LIG 1 -5.793 2.478 -4.944 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.384 3.064 -5.752 0.00 0.00 -0.191 NA ENDBRANCH 26 35 ENDBRANCH 5 23 BRANCH 3 37 ATOM 37 C LIG 1 -3.424 -2.850 2.032 0.00 0.00 +0.038 C ATOM 38 C LIG 1 -4.874 -3.270 2.058 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -4.385 -2.223 3.017 0.00 0.00 +0.010 C ENDBRANCH 3 37 TORSDOF 10