REMARK Name = BDB049386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.343 0.606 -1.384 0.00 0.00 +0.037 A ATOM 2 C LIG 1 0.375 1.641 -0.449 0.00 0.00 +0.015 A ATOM 3 C LIG 1 1.589 1.995 0.148 0.00 0.00 +0.024 A ATOM 4 C LIG 1 2.792 1.343 -0.185 0.00 0.00 +0.032 A ATOM 5 C LIG 1 2.733 0.319 -1.137 0.00 0.00 +0.024 A ATOM 6 C LIG 1 1.523 -0.042 -1.744 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 -5.423 -1.308 1.109 0.00 0.00 +0.267 C ATOM 8 N LIG 1 -4.362 -0.995 0.256 0.00 0.00 -0.293 N ATOM 9 C LIG 1 -3.022 -1.471 0.598 0.00 0.00 +0.127 C ATOM 10 C LIG 1 -1.930 -0.485 0.161 0.00 0.00 +0.127 C ATOM 11 N LIG 1 -2.014 -0.131 -1.263 0.00 0.00 -0.295 N ATOM 12 C LIG 1 -0.921 0.218 -2.050 0.00 0.00 +0.247 C ATOM 13 O LIG 1 -0.947 0.222 -3.278 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -3.278 -0.433 -1.937 0.00 0.00 +0.127 C ATOM 15 C LIG 1 -4.498 -0.277 -1.018 0.00 0.00 +0.127 C ATOM 16 O LIG 1 -5.254 -2.055 2.076 0.00 0.00 -0.268 OA BRANCH 7 20 ATOM 17 C LIG 1 -10.287 -0.306 1.397 0.00 0.00 +0.150 C ATOM 18 N LIG 1 -8.899 -0.296 1.010 0.00 0.00 -0.339 N ATOM 19 C LIG 1 -7.912 -1.081 1.527 0.00 0.00 +0.119 A ATOM 20 C LIG 1 -6.754 -0.726 0.853 0.00 0.00 +0.143 A ATOM 21 N LIG 1 -7.052 0.280 -0.056 0.00 0.00 -0.231 NA ATOM 22 C LIG 1 -8.341 0.507 0.063 0.00 0.00 +0.199 A ENDBRANCH 7 20 ENDBRANCH 1 12 BRANCH 4 23 ATOM 23 N LIG 1 3.964 1.740 0.481 0.00 0.00 -0.296 N ATOM 24 H LIG 1 3.869 2.590 1.028 0.00 0.00 +0.154 HD BRANCH 23 25 ATOM 25 C LIG 1 5.242 1.213 0.453 0.00 0.00 +0.170 A ATOM 26 C LIG 1 6.290 1.903 1.163 0.00 0.00 +0.220 A ATOM 27 N LIG 1 7.566 1.438 1.181 0.00 0.00 -0.188 N ATOM 28 N LIG 1 8.334 2.263 1.910 0.00 0.00 -0.038 NA ATOM 29 N LIG 1 7.508 3.220 2.327 0.00 0.00 -0.022 NA ATOM 30 C LIG 1 7.944 0.277 0.523 0.00 0.00 +0.095 A ATOM 31 C LIG 1 6.901 -0.373 -0.157 0.00 0.00 +0.092 A ATOM 32 C LIG 1 7.205 -1.548 -0.842 0.00 0.00 +0.030 A ATOM 33 C LIG 1 8.512 -2.050 -0.843 0.00 0.00 +0.002 A ATOM 34 C LIG 1 9.530 -1.381 -0.157 0.00 0.00 +0.002 A ATOM 35 C LIG 1 9.253 -0.205 0.536 0.00 0.00 +0.030 A ATOM 36 N LIG 1 6.221 3.010 1.868 0.00 0.00 -0.105 NA ATOM 37 N LIG 1 5.570 0.111 -0.174 0.00 0.00 -0.227 NA ENDBRANCH 23 25 ENDBRANCH 4 23 TORSDOF 4