REMARK Name = BDB013653 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.433 -1.614 -0.258 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -2.113 -1.387 0.150 0.00 0.00 +0.057 A ATOM 3 C LIG 1 -1.643 -0.084 0.364 0.00 0.00 +0.032 A ATOM 4 C LIG 1 -2.510 0.987 0.198 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -2.040 2.354 0.478 0.00 0.00 +0.275 A ATOM 6 N LIG 1 -0.743 2.468 0.959 0.00 0.00 -0.230 N ATOM 7 N LIG 1 0.134 1.423 1.063 0.00 0.00 -0.153 NA ATOM 8 C LIG 1 -0.193 3.778 1.254 0.00 0.00 +0.176 C ATOM 9 O LIG 1 -2.800 3.301 0.289 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 -3.832 0.769 -0.212 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -0.244 0.209 0.778 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -4.290 -0.530 -0.445 0.00 0.00 +0.046 A ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -5.092 -3.224 -0.819 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -3.753 -2.932 -0.437 0.00 0.00 -0.495 OA ENDBRANCH 1 14 BRANCH 11 15 ATOM 15 N LIG 1 0.671 -0.825 0.851 0.00 0.00 -0.326 N ATOM 16 H LIG 1 0.491 -1.651 0.295 0.00 0.00 +0.148 HD BRANCH 15 17 ATOM 17 C LIG 1 2.093 -0.605 1.112 0.00 0.00 +0.118 C BRANCH 17 18 ATOM 18 C LIG 1 2.823 -0.093 -0.148 0.00 0.00 +0.102 C BRANCH 18 19 ATOM 19 N LIG 1 4.287 0.042 0.012 0.00 0.00 -0.307 NA ATOM 20 C LIG 1 4.955 -1.260 0.070 0.00 0.00 +0.104 C ATOM 21 C LIG 1 4.838 0.830 -1.095 0.00 0.00 +0.104 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 11 15 TORSDOF 5