REMARK Name = BDB017639 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.267 -1.285 -0.860 0.00 0.00 -0.313 N ATOM 2 C LIG 1 1.252 -0.220 -0.803 0.00 0.00 +0.122 C ATOM 3 C LIG 1 -0.041 -0.685 -0.091 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -0.640 -1.944 -0.587 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 0.407 -2.886 -1.052 0.00 0.00 +0.103 C ATOM 6 C LIG 1 1.812 -2.629 -0.465 0.00 0.00 +0.122 C ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 6.243 -0.397 0.059 0.00 0.00 +0.055 A ATOM 8 C LIG 1 5.617 -1.574 0.430 0.00 0.00 +0.126 A ATOM 9 N LIG 1 4.322 -1.869 0.146 0.00 0.00 -0.240 NA ATOM 10 C LIG 1 3.585 -0.974 -0.547 0.00 0.00 +0.121 A ATOM 11 C LIG 1 4.166 0.219 -0.986 0.00 0.00 +0.044 A ATOM 12 C LIG 1 5.499 0.514 -0.683 0.00 0.00 +0.018 A BRANCH 7 14 ATOM 13 O LIG 1 8.371 -1.161 0.682 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 7.662 -0.192 0.435 0.00 0.00 +0.246 C ATOM 15 N LIG 1 8.095 1.119 0.512 0.00 0.00 -0.308 N ATOM 16 H LIG 1 7.421 1.872 0.473 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 9.431 1.448 0.899 0.00 0.00 +0.073 C ATOM 18 C LIG 1 10.475 1.737 -0.144 0.00 0.00 +0.024 C ATOM 19 C LIG 1 9.958 2.846 0.725 0.00 0.00 +0.024 C ENDBRANCH 15 17 ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 4 20 ATOM 20 C LIG 1 -1.634 -1.728 -1.649 0.00 0.00 +0.119 C BRANCH 20 21 ATOM 21 C LIG 1 -2.904 -1.063 -1.160 0.00 0.00 -0.031 A ATOM 22 C LIG 1 -3.581 -1.551 -0.033 0.00 0.00 +0.031 A ATOM 23 C LIG 1 -4.765 -0.947 0.397 0.00 0.00 +0.051 A ATOM 24 C LIG 1 -5.306 0.158 -0.277 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -6.558 0.761 0.235 0.00 0.00 +0.045 A ATOM 26 N LIG 1 -7.073 1.889 -0.397 0.00 0.00 -0.343 N ATOM 27 H LIG 1 -6.358 2.562 -0.660 0.00 0.00 +0.146 HD ATOM 28 C LIG 1 -8.345 2.478 0.000 0.00 0.00 +0.102 C ATOM 29 C LIG 1 -8.562 2.302 1.498 0.00 0.00 +0.023 C ATOM 30 C LIG 1 -8.404 0.833 1.903 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -7.167 0.216 1.306 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -6.607 -0.981 1.991 0.00 0.00 +0.254 A ATOM 33 O LIG 1 -7.168 -1.498 2.952 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -4.641 0.622 -1.421 0.00 0.00 +0.012 A ATOM 35 N LIG 1 -5.428 -1.472 1.509 0.00 0.00 -0.322 N ATOM 36 H LIG 1 -5.058 -2.281 1.989 0.00 0.00 +0.169 HD ATOM 37 C LIG 1 -3.454 0.020 -1.857 0.00 0.00 +0.005 A ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 5