REMARK Name = BDB037258 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.722 1.180 -1.170 0.00 0.00 +0.274 C ATOM 2 N LIG 1 1.069 2.096 -0.216 0.00 0.00 -0.219 N ATOM 3 H LIG 1 0.679 1.951 0.705 0.00 0.00 +0.166 HD ATOM 4 O LIG 1 1.296 0.983 -2.233 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -1.992 -0.207 0.850 0.00 0.00 +0.220 A ATOM 6 C LIG 1 -2.614 -1.141 0.020 0.00 0.00 +0.035 A ATOM 7 C LIG 1 -2.103 -1.299 -1.276 0.00 0.00 +0.013 A ATOM 8 C LIG 1 -1.010 -0.544 -1.688 0.00 0.00 +0.033 A ATOM 9 C LIG 1 -0.464 0.355 -0.785 0.00 0.00 +0.130 A ATOM 10 N LIG 1 -0.926 0.537 0.481 0.00 0.00 -0.208 NA BRANCH 5 12 ATOM 11 C LIG 1 -1.956 1.038 2.837 0.00 0.00 +0.279 C ATOM 12 O LIG 1 -2.463 -0.094 2.140 0.00 0.00 -0.479 OA ENDBRANCH 5 12 BRANCH 6 13 ATOM 13 C LIG 1 -3.816 -1.924 0.474 0.00 0.00 +0.184 C BRANCH 13 14 ATOM 14 N LIG 1 -5.055 -1.284 0.053 0.00 0.00 -0.267 N ATOM 15 N LIG 1 -5.642 -0.355 0.835 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 -6.735 -0.008 0.152 0.00 0.00 +0.134 A ATOM 17 C LIG 1 -6.863 -0.721 -1.053 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -5.765 -1.548 -1.087 0.00 0.00 +0.108 A ENDBRANCH 13 14 ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 S LIG 1 2.603 2.752 -0.183 0.00 0.00 +0.157 S ATOM 20 O LIG 1 2.695 3.567 -1.374 0.00 0.00 -0.223 OA ATOM 21 N LIG 1 2.667 3.333 1.236 0.00 0.00 -0.232 NA ATOM 22 H LIG 1 2.143 4.208 1.265 0.00 0.00 +0.199 HD BRANCH 19 23 ATOM 23 C LIG 1 3.822 1.488 -0.274 0.00 0.00 +0.107 A ATOM 24 C LIG 1 3.635 0.262 0.333 0.00 0.00 +0.142 A ATOM 25 O LIG 1 2.546 -0.119 1.075 0.00 0.00 -0.490 OA ATOM 26 C LIG 1 2.711 -1.548 1.234 0.00 0.00 +0.234 C ATOM 27 C LIG 1 4.185 -1.901 1.051 0.00 0.00 +0.080 C ATOM 28 C LIG 1 4.606 -0.729 0.250 0.00 0.00 -0.001 A ATOM 29 C LIG 1 5.786 -0.524 -0.446 0.00 0.00 +0.007 A ATOM 30 C LIG 1 5.977 0.706 -1.081 0.00 0.00 +0.002 A ATOM 31 C LIG 1 5.001 1.711 -0.997 0.00 0.00 +0.023 A ENDBRANCH 19 23 ENDBRANCH 2 19 TORSDOF 6