REMARK Name = BDB038449 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.327 0.236 -0.138 0.00 0.00 +0.120 A ATOM 2 N LIG 1 -2.676 1.522 -0.299 0.00 0.00 -0.226 NA ATOM 3 CA LIG 1 -1.734 2.369 -0.785 0.00 0.00 +0.150 A ATOM 4 C LIG 1 -0.451 1.976 -1.143 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -0.119 0.632 -1.006 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -1.078 -0.248 -0.506 0.00 0.00 +0.053 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 1.216 0.150 -1.360 0.00 0.00 +0.079 A ATOM 8 N LIG 1 1.730 0.179 -2.639 0.00 0.00 -0.266 N ATOM 9 C LIG 1 1.070 0.627 -3.845 0.00 0.00 +0.173 C ATOM 10 N LIG 1 2.990 -0.290 -2.727 0.00 0.00 -0.179 NA ATOM 11 C LIG 1 3.275 -0.663 -1.480 0.00 0.00 +0.146 A ATOM 12 C LIG 1 2.216 -0.425 -0.587 0.00 0.00 +0.064 A BRANCH 12 13 ATOM 13 C LIG 1 2.137 -0.716 0.946 0.00 0.00 +0.167 A ATOM 14 N LIG 1 3.091 -1.270 1.761 0.00 0.00 -0.316 N ATOM 15 C LIG 1 4.416 -1.709 1.421 0.00 0.00 +0.152 C ATOM 16 C LIG 1 2.543 -1.333 3.007 0.00 0.00 +0.225 A ATOM 17 N LIG 1 1.326 -0.850 2.977 0.00 0.00 -0.138 NA ATOM 18 N LIG 1 1.075 -0.455 1.686 0.00 0.00 -0.129 NA ENDBRANCH 12 13 ENDBRANCH 5 7 BRANCH 1 19 ATOM 19 N LIG 1 -3.312 -0.594 0.408 0.00 0.00 -0.329 N ATOM 20 H LIG 1 -4.094 0.042 0.571 0.00 0.00 +0.147 HD BRANCH 19 22 ATOM 21 C LIG 1 -4.072 -1.972 2.263 0.00 0.00 +0.024 C ATOM 22 C LIG 1 -2.890 -1.235 1.654 0.00 0.00 +0.099 C ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 3 23 ATOM 23 C LIG 1 -2.103 3.805 -0.948 0.00 0.00 +0.355 C ATOM 24 O LIG 1 -1.386 4.670 -1.422 0.00 0.00 -0.243 OA BRANCH 23 25 ATOM 25 OXT LIG 1 -3.347 4.095 -0.518 0.00 0.00 -0.476 OA ATOM 26 HXT LIG 1 -3.452 5.053 -0.680 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 3 23 TORSDOF 6