REMARK Name = BDB003137 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.976 1.513 0.317 0.00 0.00 -0.326 N ATOM 2 H LIG 1 0.412 2.253 0.724 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 2.304 1.598 0.643 0.00 0.00 +0.135 C ATOM 4 S LIG 1 2.730 2.880 1.625 0.00 0.00 -0.019 S BRANCH 3 5 ATOM 5 N LIG 1 3.101 0.630 0.087 0.00 0.00 -0.297 N ATOM 6 H LIG 1 2.711 0.222 -0.749 0.00 0.00 +0.154 HD BRANCH 5 10 ATOM 7 C LIG 1 7.082 -0.679 0.711 0.00 0.00 +0.121 A ATOM 8 C LIG 1 6.450 0.069 1.699 0.00 0.00 +0.047 A ATOM 9 C LIG 1 5.132 0.518 1.520 0.00 0.00 +0.027 A ATOM 10 C LIG 1 4.434 0.241 0.345 0.00 0.00 +0.033 A ATOM 11 C LIG 1 5.068 -0.530 -0.636 0.00 0.00 +0.027 A ATOM 12 C LIG 1 6.381 -0.976 -0.457 0.00 0.00 +0.047 A BRANCH 7 13 ATOM 13 O LIG 1 8.355 -1.172 0.750 0.00 0.00 -0.492 OA BRANCH 13 15 ATOM 14 C LIG 1 9.872 0.320 1.917 0.00 0.00 +0.048 C ATOM 15 C LIG 1 9.125 -1.002 1.939 0.00 0.00 +0.225 C ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 5 10 ENDBRANCH 3 5 ENDBRANCH 1 3 BRANCH 1 16 ATOM 16 C LIG 1 0.260 0.472 -0.409 0.00 0.00 +0.104 C BRANCH 16 17 ATOM 17 C LIG 1 0.191 0.781 -1.900 0.00 0.00 +0.034 C BRANCH 17 18 ATOM 18 C LIG 1 -0.429 -0.340 -2.745 0.00 0.00 +0.086 C BRANCH 18 19 ATOM 19 N LIG 1 -1.800 -0.734 -2.460 0.00 0.00 -0.300 NA ATOM 20 C LIG 1 -2.001 -1.760 -1.442 0.00 0.00 +0.100 C ATOM 21 C LIG 1 -3.097 -1.524 -0.361 0.00 0.00 +0.100 C ATOM 22 N LIG 1 -4.204 -0.589 -0.659 0.00 0.00 -0.297 NA ATOM 23 C LIG 1 -4.196 -0.195 -2.074 0.00 0.00 +0.100 C ATOM 24 C LIG 1 -2.801 0.323 -2.478 0.00 0.00 +0.100 C BRANCH 22 25 ATOM 25 C LIG 1 -5.511 -1.066 -0.152 0.00 0.00 +0.057 C ATOM 26 C LIG 1 -5.491 -1.239 1.388 0.00 0.00 +0.019 C ATOM 27 C LIG 1 -5.363 0.096 2.125 0.00 0.00 +0.002 C ATOM 28 C LIG 1 -6.479 1.061 1.734 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -6.593 1.224 0.220 0.00 0.00 +0.002 C ATOM 30 C LIG 1 -6.700 -0.132 -0.480 0.00 0.00 +0.019 C ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 10