REMARK Name = BDB057585 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.234 0.714 -0.979 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -1.021 1.186 -1.308 0.00 0.00 +0.100 A ATOM 3 C LIG 1 -1.337 0.506 -2.525 0.00 0.00 +0.074 A ATOM 4 C LIG 1 -2.509 0.684 -3.420 0.00 0.00 +0.068 C ATOM 5 N LIG 1 -0.392 -0.386 -2.862 0.00 0.00 -0.177 NA ATOM 6 N LIG 1 0.544 -0.232 -1.909 0.00 0.00 -0.262 N ATOM 7 H LIG 1 1.397 -0.776 -1.942 0.00 0.00 +0.190 HD ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 -1.735 2.211 -0.574 0.00 0.00 +0.253 C ATOM 9 N LIG 1 -3.102 2.154 -0.432 0.00 0.00 -0.281 N ATOM 10 H LIG 1 -3.483 3.052 -0.161 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -1.143 3.184 -0.103 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 -3.987 1.063 -0.361 0.00 0.00 +0.034 A ATOM 13 C LIG 1 -3.590 -0.265 -0.211 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -4.548 -1.282 -0.128 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -5.911 -0.991 -0.176 0.00 0.00 +0.120 A ATOM 16 C LIG 1 -6.314 0.337 -0.298 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -5.356 1.356 -0.381 0.00 0.00 +0.027 A BRANCH 15 18 ATOM 18 O LIG 1 -6.734 -2.078 -0.085 0.00 0.00 -0.495 OA ATOM 19 C LIG 1 -8.133 -1.835 -0.151 0.00 0.00 +0.277 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 2 8 BRANCH 1 20 ATOM 20 N LIG 1 1.093 1.025 0.017 0.00 0.00 -0.221 N ATOM 21 H LIG 1 0.867 1.841 0.596 0.00 0.00 +0.176 HD BRANCH 20 23 ATOM 22 C LIG 1 3.052 0.890 1.089 0.00 0.00 +0.138 C ATOM 23 N LIG 1 2.309 0.426 0.134 0.00 0.00 -0.189 NA BRANCH 22 27 ATOM 24 C LIG 1 6.968 -0.625 1.903 0.00 0.00 +0.120 A ATOM 25 C LIG 1 6.427 0.412 2.670 0.00 0.00 +0.046 A ATOM 26 C LIG 1 5.148 0.906 2.403 0.00 0.00 +0.013 A ATOM 27 C LIG 1 4.402 0.357 1.358 0.00 0.00 -0.005 A ATOM 28 C LIG 1 4.934 -0.679 0.587 0.00 0.00 +0.013 A ATOM 29 C LIG 1 6.216 -1.170 0.860 0.00 0.00 +0.046 A BRANCH 24 31 ATOM 30 C LIG 1 8.825 -2.060 1.524 0.00 0.00 +0.277 C ATOM 31 O LIG 1 8.227 -1.010 2.274 0.00 0.00 -0.495 OA ENDBRANCH 24 31 ENDBRANCH 22 27 ENDBRANCH 20 23 ENDBRANCH 1 20 TORSDOF 7