REMARK Name = BDB010297 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.363 -1.052 1.160 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.091 -0.509 1.205 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.807 -1.550 1.310 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.007 -2.680 1.241 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.467 -3.938 1.296 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 1.796 -3.991 1.450 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.652 -2.948 1.535 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 2.185 -1.686 1.456 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.312 -2.362 1.116 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -5.805 -2.127 0.303 0.00 0.00 +0.010 C ATOM 11 C LIG 1 -4.564 -1.712 1.097 0.00 0.00 +0.011 C ATOM 12 C LIG 1 -3.598 -0.799 0.289 0.00 0.00 +0.109 C ATOM 13 N LIG 1 -2.483 -0.273 1.126 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -2.892 0.290 2.426 0.00 0.00 +0.108 C ATOM 15 C LIG 1 -3.720 -0.697 3.240 0.00 0.00 +0.019 C ATOM 16 C LIG 1 -4.951 -1.160 2.473 0.00 0.00 +0.007 C BRANCH 12 17 ATOM 17 C LIG 1 -4.202 0.342 -0.535 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -5.089 1.296 -0.017 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -5.599 2.321 -0.821 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -5.228 2.414 -2.159 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.345 1.484 -2.695 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.838 0.460 -1.891 0.00 0.00 +0.005 A ENDBRANCH 12 17 ENDBRANCH 1 13 BRANCH 6 23 ATOM 23 C LIG 1 2.431 -5.355 1.528 0.00 0.00 +0.375 C ATOM 24 O LIG 1 3.621 -5.602 1.640 0.00 0.00 -0.242 OA BRANCH 23 25 ATOM 25 O LIG 1 1.540 -6.372 1.460 0.00 0.00 -0.475 OA ATOM 26 H LIG 1 2.091 -7.177 1.524 0.00 0.00 +0.296 HD ENDBRANCH 23 25 ENDBRANCH 6 23 BRANCH 8 27 ATOM 27 N LIG 1 3.066 -0.618 1.550 0.00 0.00 -0.324 N ATOM 28 H LIG 1 2.756 0.225 1.093 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 4.502 -0.877 1.398 0.00 0.00 +0.072 C ATOM 30 C LIG 1 5.243 0.293 2.048 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 4.866 -1.066 -0.080 0.00 0.00 +0.009 C ATOM 32 C LIG 1 4.687 0.098 -1.098 0.00 0.00 +0.005 C ATOM 33 C LIG 1 5.891 -0.488 -1.865 0.00 0.00 +0.001 C ATOM 34 C LIG 1 6.357 -1.102 -0.527 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 2 35 ATOM 35 C LIG 1 0.231 0.905 1.122 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 0.741 1.346 -0.264 0.00 0.00 +0.009 C ATOM 37 C LIG 1 1.382 2.738 -0.162 0.00 0.00 +0.005 C ATOM 38 C LIG 1 1.866 3.246 -1.519 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.737 3.249 -2.556 0.00 0.00 -0.014 C ATOM 40 C LIG 1 1.255 3.715 -3.915 0.00 0.00 +0.007 C ATOM 41 C LIG 1 0.101 1.859 -2.667 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -0.382 1.348 -1.311 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 9