REMARK Name = BDB015922 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.881 0.649 0.544 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.464 0.673 0.466 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.076 1.858 0.253 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -0.350 3.045 0.172 0.00 0.00 +0.060 A ATOM 5 C LIG 1 1.025 2.903 0.239 0.00 0.00 +0.126 A ATOM 6 N LIG 1 1.666 1.729 0.416 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.502 -2.119 0.650 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.877 -0.877 0.443 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.526 -0.656 0.778 0.00 0.00 +0.020 A ATOM 10 C LIG 1 0.815 -1.731 1.343 0.00 0.00 +0.011 A ATOM 11 C LIG 1 1.419 -2.971 1.554 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.755 -3.164 1.206 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 8.324 -1.360 -0.270 0.00 0.00 +0.172 C ATOM 14 N LIG 1 7.028 -1.970 -0.105 0.00 0.00 -0.274 N ATOM 15 N LIG 1 6.885 -3.289 -0.322 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 5.589 -3.505 -0.078 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.895 -2.329 0.292 0.00 0.00 +0.020 A ATOM 18 C LIG 1 5.869 -1.351 0.265 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -0.934 4.371 0.024 0.00 0.00 +0.097 A ATOM 20 N LIG 1 -0.339 5.314 -0.727 0.00 0.00 -0.171 NA ATOM 21 N LIG 1 -1.139 6.390 -0.621 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -0.789 7.604 -1.317 0.00 0.00 +0.172 C ATOM 23 C LIG 1 -2.223 6.184 0.174 0.00 0.00 +0.108 A ATOM 24 C LIG 1 -2.120 4.887 0.616 0.00 0.00 +0.049 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.485 1.862 0.144 0.00 0.00 -0.327 N ATOM 26 H LIG 1 -2.758 2.457 -0.636 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.125 0.544 0.079 0.00 0.00 +0.118 C BRANCH 27 28 ATOM 28 C LIG 1 -3.009 -0.088 -1.332 0.00 0.00 +0.103 C BRANCH 28 29 ATOM 29 N LIG 1 -3.378 -1.508 -1.470 0.00 0.00 -0.298 NA ATOM 30 C LIG 1 -2.322 -2.401 -0.971 0.00 0.00 +0.107 C ATOM 31 C LIG 1 -2.739 -3.858 -1.006 0.00 0.00 +0.181 C ATOM 32 S LIG 1 -4.025 -4.128 0.193 0.00 0.00 -0.029 S ATOM 33 O LIG 1 -3.393 -4.360 1.479 0.00 0.00 -0.174 OA ATOM 34 O LIG 1 -4.956 -5.093 -0.359 0.00 0.00 -0.174 OA ATOM 35 C LIG 1 -4.851 -2.554 0.281 0.00 0.00 +0.181 C ATOM 36 C LIG 1 -4.745 -1.835 -1.052 0.00 0.00 +0.107 C ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7