REMARK Name = BDB015219 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.182 -1.134 1.777 0.00 0.00 +0.119 A ATOM 2 N LIG 1 -0.008 0.159 2.104 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 -0.984 1.030 1.776 0.00 0.00 +0.113 A ATOM 4 C LIG 1 -2.154 0.671 1.135 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -2.364 -0.672 0.801 0.00 0.00 +0.024 A ATOM 6 C LIG 1 -1.344 -1.574 1.146 0.00 0.00 +0.055 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.597 -1.119 0.122 0.00 0.00 +0.162 A ATOM 8 N LIG 1 -4.514 -0.173 -0.168 0.00 0.00 -0.210 NA ATOM 9 C LIG 1 -5.603 -0.670 -0.780 0.00 0.00 +0.145 A ATOM 10 C LIG 1 -5.823 -1.997 -1.120 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -7.083 -2.065 -1.773 0.00 0.00 +0.031 A ATOM 12 C LIG 1 -7.593 -0.784 -1.825 0.00 0.00 +0.089 A ATOM 13 C LIG 1 -4.817 -2.892 -0.778 0.00 0.00 +0.124 A ATOM 14 N LIG 1 -6.706 0.041 -1.181 0.00 0.00 -0.326 N ATOM 15 N LIG 1 -3.705 -2.441 -0.155 0.00 0.00 -0.235 NA BRANCH 14 16 ATOM 16 C LIG 1 -6.836 1.503 -1.076 0.00 0.00 +0.116 C ATOM 17 C LIG 1 -6.544 2.063 0.333 0.00 0.00 +0.107 C ATOM 18 N LIG 1 -7.698 2.983 0.159 0.00 0.00 -0.312 NA ATOM 19 H LIG 1 -7.439 3.871 -0.273 0.00 0.00 +0.122 HD ATOM 20 C LIG 1 -8.268 2.006 -0.802 0.00 0.00 +0.107 C ENDBRANCH 14 16 ENDBRANCH 5 7 BRANCH 1 21 ATOM 21 N LIG 1 0.789 -2.090 2.111 0.00 0.00 -0.327 N ATOM 22 H LIG 1 0.982 -2.664 1.288 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 2.041 -1.578 2.677 0.00 0.00 +0.135 C BRANCH 23 24 ATOM 24 C LIG 1 3.143 -1.429 1.601 0.00 0.00 +0.145 C BRANCH 24 25 ATOM 25 O LIG 1 3.201 -2.649 0.835 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 3.396 -3.369 1.460 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 2.906 -0.212 0.672 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 4.010 0.219 -0.214 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 5.144 0.793 0.522 0.00 0.00 +0.120 C ATOM 30 C LIG 1 6.293 1.210 -0.376 0.00 0.00 -0.030 A ATOM 31 C LIG 1 6.421 0.686 -1.675 0.00 0.00 -0.042 A ATOM 32 C LIG 1 7.508 1.062 -2.474 0.00 0.00 +0.004 A ATOM 33 C LIG 1 8.479 1.933 -1.978 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.366 2.438 -0.685 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.352 -0.224 -2.227 0.00 0.00 +0.051 C ATOM 36 C LIG 1 7.281 2.078 0.114 0.00 0.00 +0.005 A ATOM 37 C LIG 1 4.469 -0.832 -1.127 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 8