REMARK Name = BDB059131 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.612 0.671 -1.593 0.00 0.00 +0.023 C ATOM 2 C LIG 1 -1.058 1.910 -0.812 0.00 0.00 +0.148 C ATOM 3 C LIG 1 -2.529 2.100 -1.214 0.00 0.00 +0.166 C ATOM 4 C LIG 1 -3.046 0.689 -1.560 0.00 0.00 +0.120 C ATOM 5 C LIG 1 -1.829 -0.250 -1.475 0.00 0.00 +0.034 C ENDROOT BRANCH 4 6 ATOM 6 N LIG 1 -4.163 0.248 -0.739 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -4.186 0.202 0.634 0.00 0.00 +0.146 A ATOM 8 C LIG 1 -5.424 -0.285 1.028 0.00 0.00 +0.058 A ATOM 9 C LIG 1 -5.644 -0.410 2.406 0.00 0.00 +0.129 A ATOM 10 N LIG 1 -4.661 -0.055 3.257 0.00 0.00 -0.220 NA ATOM 11 C LIG 1 -3.503 0.397 2.740 0.00 0.00 +0.225 A ATOM 12 C LIG 1 -6.164 -0.539 -0.160 0.00 0.00 +0.032 A ATOM 13 N LIG 1 -3.179 0.565 1.446 0.00 0.00 -0.218 NA ATOM 14 C LIG 1 -5.366 -0.200 -1.232 0.00 0.00 +0.089 A BRANCH 9 15 ATOM 15 N LIG 1 -6.832 -0.866 2.959 0.00 0.00 -0.343 N ATOM 16 H LIG 1 -7.655 -0.685 2.402 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 -6.886 -0.618 3.940 0.00 0.00 +0.144 HD ENDBRANCH 9 15 ENDBRANCH 4 6 BRANCH 2 18 ATOM 18 O LIG 1 -0.289 3.058 -1.156 0.00 0.00 -0.389 OA ATOM 19 H LIG 1 -0.379 3.170 -2.121 0.00 0.00 +0.210 HD ENDBRANCH 2 18 BRANCH 3 20 ATOM 20 O LIG 1 -2.595 2.935 -2.385 0.00 0.00 -0.387 OA ATOM 21 H LIG 1 -2.420 3.842 -2.066 0.00 0.00 +0.210 HD ENDBRANCH 3 20 BRANCH 1 22 ATOM 22 C LIG 1 0.660 -0.001 -1.060 0.00 0.00 +0.011 C BRANCH 22 23 ATOM 23 C LIG 1 1.910 0.876 -1.177 0.00 0.00 +0.035 C BRANCH 23 30 ATOM 24 C LIG 1 6.091 -1.467 2.597 0.00 0.00 +0.117 A ATOM 25 N LIG 1 4.999 -0.777 2.233 0.00 0.00 -0.232 NA ATOM 26 C LIG 1 4.675 -0.710 0.929 0.00 0.00 +0.073 A ATOM 27 C LIG 1 5.439 -1.340 -0.072 0.00 0.00 +0.001 A ATOM 28 C LIG 1 5.060 -1.245 -1.422 0.00 0.00 +0.010 A ATOM 29 C LIG 1 3.922 -0.526 -1.785 0.00 0.00 +0.004 A ATOM 30 C LIG 1 3.156 0.109 -0.805 0.00 0.00 -0.045 A ATOM 31 C LIG 1 6.573 -2.053 0.328 0.00 0.00 +0.013 A ATOM 32 C LIG 1 3.547 0.001 0.540 0.00 0.00 +0.032 A ATOM 33 C LIG 1 6.903 -2.117 1.678 0.00 0.00 +0.044 A BRANCH 24 34 ATOM 34 N LIG 1 6.402 -1.517 3.961 0.00 0.00 -0.343 N ATOM 35 H LIG 1 6.412 -2.483 4.272 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 7.323 -1.121 4.114 0.00 0.00 +0.144 HD ENDBRANCH 24 34 ENDBRANCH 23 30 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 8