REMARK Name = BDB034878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.818 1.121 1.146 0.00 0.00 -0.297 N ATOM 2 C LIG 1 -0.562 0.522 1.308 0.00 0.00 +0.170 A ATOM 3 N LIG 1 -0.050 -0.447 0.620 0.00 0.00 -0.152 NA ATOM 4 S LIG 1 0.296 1.415 2.625 0.00 0.00 -0.060 S ATOM 5 C LIG 1 -1.039 2.521 2.809 0.00 0.00 +0.066 A ATOM 6 C LIG 1 -2.031 2.223 1.964 0.00 0.00 +0.100 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -2.920 -1.663 1.034 0.00 0.00 +0.046 C ATOM 8 C LIG 1 -3.260 -0.578 0.047 0.00 0.00 -0.027 A ATOM 9 C LIG 1 -2.739 0.731 0.135 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -3.163 1.688 -0.810 0.00 0.00 +0.026 A ATOM 11 C LIG 1 -4.046 1.355 -1.837 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -4.527 0.056 -1.939 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -4.136 -0.903 -1.006 0.00 0.00 +0.005 A ENDBRANCH 1 9 BRANCH 3 14 ATOM 14 C LIG 1 1.194 -0.906 0.962 0.00 0.00 +0.270 C ATOM 15 O LIG 1 1.412 -1.561 1.972 0.00 0.00 -0.268 OA BRANCH 14 16 ATOM 16 C LIG 1 2.281 -0.610 -0.010 0.00 0.00 +0.051 A ATOM 17 C LIG 1 3.633 -0.831 0.321 0.00 0.00 +0.031 A ATOM 18 C LIG 1 4.574 -0.515 -0.655 0.00 0.00 +0.139 A ATOM 19 N LIG 1 5.818 -0.790 -0.156 0.00 0.00 -0.346 N ATOM 20 H LIG 1 6.672 -0.647 -0.676 0.00 0.00 +0.167 HD ATOM 21 C LIG 1 5.711 -1.272 1.121 0.00 0.00 +0.085 A ATOM 22 N LIG 1 4.349 -0.023 -1.886 0.00 0.00 -0.237 NA ATOM 23 C LIG 1 3.040 0.164 -2.154 0.00 0.00 +0.114 A ATOM 24 C LIG 1 4.371 -1.308 1.444 0.00 0.00 +0.030 A ATOM 25 C LIG 1 1.993 -0.101 -1.285 0.00 0.00 +0.033 A ENDBRANCH 14 16 ENDBRANCH 3 14 TORSDOF 3