REMARK Name = BDB037233 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 S LIG 1 -1.064 0.001 2.466 0.00 0.00 +0.157 S ATOM 2 O LIG 1 -0.913 -1.276 3.134 0.00 0.00 -0.223 OA ATOM 3 N LIG 1 -1.411 1.302 3.202 0.00 0.00 -0.232 NA ATOM 4 H LIG 1 -0.634 1.584 3.798 0.00 0.00 +0.199 HD ENDROOT BRANCH 1 6 ATOM 5 C LIG 1 -1.874 -1.101 0.072 0.00 0.00 +0.138 A ATOM 6 C LIG 1 -2.205 -0.248 1.130 0.00 0.00 +0.107 A ATOM 7 C LIG 1 -3.447 0.407 1.169 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -4.399 0.242 0.145 0.00 0.00 -0.038 A ATOM 9 C LIG 1 -4.048 -0.611 -0.913 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -2.809 -1.270 -0.950 0.00 0.00 +0.047 A BRANCH 8 11 ATOM 11 C LIG 1 -5.750 0.984 0.217 0.00 0.00 +0.013 C ATOM 12 C LIG 1 -5.496 2.509 0.265 0.00 0.00 +0.018 C ATOM 13 C LIG 1 -6.497 0.566 1.506 0.00 0.00 +0.018 C BRANCH 11 14 ATOM 14 C LIG 1 -6.680 0.690 -0.996 0.00 0.00 +0.166 C BRANCH 14 15 ATOM 15 O LIG 1 -7.922 1.385 -0.901 0.00 0.00 -0.394 OA ATOM 16 H LIG 1 -8.441 1.154 -1.690 0.00 0.00 +0.209 HD ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 8 11 BRANCH 5 18 ATOM 17 C LIG 1 -0.350 -2.660 -0.909 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -0.648 -1.707 0.104 0.00 0.00 -0.494 OA ENDBRANCH 5 18 ENDBRANCH 1 6 BRANCH 1 19 ATOM 19 N LIG 1 0.481 0.287 1.885 0.00 0.00 -0.219 N ATOM 20 H LIG 1 1.060 -0.538 1.963 0.00 0.00 +0.166 HD ATOM 21 C LIG 1 0.680 1.044 0.763 0.00 0.00 +0.274 C ATOM 22 O LIG 1 -0.060 1.919 0.333 0.00 0.00 -0.268 OA BRANCH 21 23 ATOM 23 C LIG 1 1.941 0.695 0.040 0.00 0.00 +0.130 A ATOM 24 N LIG 1 2.613 -0.388 0.515 0.00 0.00 -0.208 NA ATOM 25 C LIG 1 3.744 -0.732 -0.138 0.00 0.00 +0.220 A ATOM 26 C LIG 1 4.240 -0.048 -1.249 0.00 0.00 +0.035 A ATOM 27 C LIG 1 3.515 1.060 -1.709 0.00 0.00 +0.013 A ATOM 28 C LIG 1 2.345 1.438 -1.059 0.00 0.00 +0.033 A BRANCH 25 29 ATOM 29 O LIG 1 4.442 -1.843 0.280 0.00 0.00 -0.479 OA ATOM 30 C LIG 1 3.954 -2.414 1.489 0.00 0.00 +0.279 C ENDBRANCH 25 29 BRANCH 26 31 ATOM 31 C LIG 1 5.517 -0.469 -1.927 0.00 0.00 +0.184 C BRANCH 31 32 ATOM 32 N LIG 1 6.704 -0.133 -1.148 0.00 0.00 -0.267 N ATOM 33 N LIG 1 7.651 -1.071 -0.936 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 8.592 -0.424 -0.244 0.00 0.00 +0.134 A ATOM 35 C LIG 1 8.274 0.930 -0.044 0.00 0.00 +0.041 A ATOM 36 C LIG 1 7.055 1.096 -0.657 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 21 23 ENDBRANCH 1 19 TORSDOF 10