REMARK Name = BDB027782 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.186 0.639 -0.130 0.00 0.00 +0.131 A ATOM 2 C LIG 1 -0.471 1.882 -0.171 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -1.863 1.825 -0.085 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -2.529 3.040 -0.138 0.00 0.00 +0.139 A ATOM 5 N LIG 1 -1.949 4.264 -0.255 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.608 4.286 -0.316 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -2.542 0.677 0.045 0.00 0.00 -0.223 NA ATOM 8 C LIG 1 -1.822 -0.456 0.109 0.00 0.00 +0.204 A ATOM 9 C LIG 1 0.167 3.142 -0.279 0.00 0.00 +0.033 A ATOM 10 N LIG 1 -0.483 -0.515 0.028 0.00 0.00 -0.209 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -2.558 -1.719 0.268 0.00 0.00 +0.241 A ATOM 12 N LIG 1 -2.011 -2.954 0.326 0.00 0.00 -0.130 NA ATOM 13 N LIG 1 -3.113 -3.699 0.474 0.00 0.00 -0.176 N ATOM 14 H LIG 1 -3.074 -4.711 0.557 0.00 0.00 +0.214 HD ATOM 15 N LIG 1 -4.274 -3.039 0.505 0.00 0.00 -0.048 NA ATOM 16 N LIG 1 -3.935 -1.764 0.374 0.00 0.00 -0.105 NA ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 1.606 0.604 -0.215 0.00 0.00 -0.323 N ATOM 18 H LIG 1 1.901 1.142 -1.025 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 2.266 -1.589 -1.301 0.00 0.00 +0.031 C ATOM 20 C LIG 1 2.310 -0.698 -0.082 0.00 0.00 +0.031 C ATOM 21 C LIG 1 2.383 -1.360 1.276 0.00 0.00 +0.027 C ATOM 22 C LIG 1 3.601 -0.695 0.710 0.00 0.00 +0.027 C ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 3