REMARK Name = BDB057028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.056 0.131 -0.436 0.00 0.00 +0.091 A ATOM 2 S LIG 1 -0.270 1.293 -1.657 0.00 0.00 +0.027 S ATOM 3 N LIG 1 -1.905 1.056 -1.728 0.00 0.00 -0.212 NA ATOM 4 C LIG 1 -2.249 0.106 -0.854 0.00 0.00 +0.075 A ATOM 5 C LIG 1 -1.155 -0.440 -0.091 0.00 0.00 +0.058 A ENDROOT BRANCH 1 6 ATOM 6 N LIG 1 1.263 -0.182 0.102 0.00 0.00 -0.290 N ATOM 7 H LIG 1 1.285 -0.908 0.816 0.00 0.00 +0.154 HD BRANCH 6 11 ATOM 8 C LIG 1 4.229 2.787 -2.259 0.00 0.00 +0.067 C ATOM 9 C LIG 1 4.075 1.706 -1.227 0.00 0.00 +0.057 A ATOM 10 N LIG 1 2.777 1.259 -1.030 0.00 0.00 -0.232 NA ATOM 11 C LIG 1 2.531 0.316 -0.151 0.00 0.00 +0.167 A ATOM 12 C LIG 1 3.648 -0.238 0.601 0.00 0.00 +0.179 A ATOM 13 N LIG 1 4.922 0.223 0.385 0.00 0.00 -0.295 N ATOM 14 C LIG 1 5.740 -0.488 1.236 0.00 0.00 +0.076 A ATOM 15 C LIG 1 4.886 -1.340 1.914 0.00 0.00 +0.140 A ATOM 16 N LIG 1 3.582 -1.182 1.516 0.00 0.00 -0.232 NA ATOM 17 C LIG 1 5.133 1.217 -0.551 0.00 0.00 +0.116 A BRANCH 14 18 ATOM 18 C LIG 1 7.275 -0.401 1.436 0.00 0.00 +0.038 A ATOM 19 C LIG 1 7.992 -1.170 2.325 0.00 0.00 +0.115 A ATOM 20 N LIG 1 9.296 -0.788 2.193 0.00 0.00 -0.284 N ATOM 21 H LIG 1 10.108 -1.140 2.690 0.00 0.00 +0.188 HD ATOM 22 N LIG 1 9.477 0.177 1.278 0.00 0.00 -0.182 NA ATOM 23 C LIG 1 8.244 0.411 0.818 0.00 0.00 +0.144 A ENDBRANCH 14 18 ENDBRANCH 6 11 ENDBRANCH 1 6 BRANCH 4 24 ATOM 24 C LIG 1 -3.713 -0.266 -0.734 0.00 0.00 +0.153 C BRANCH 24 25 ATOM 25 C LIG 1 -3.757 -1.743 -1.144 0.00 0.00 +0.064 A ATOM 26 N LIG 1 -3.549 -2.689 -0.178 0.00 0.00 -0.258 NA ATOM 27 C LIG 1 -3.584 -3.985 -0.558 0.00 0.00 +0.111 A ATOM 28 C LIG 1 -3.802 -4.401 -1.860 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -3.997 -3.432 -2.837 0.00 0.00 +0.003 A ATOM 30 C LIG 1 -3.975 -2.087 -2.480 0.00 0.00 +0.025 A ENDBRANCH 24 25 BRANCH 24 31 ATOM 31 N LIG 1 -4.253 -0.061 0.625 0.00 0.00 -0.300 NA ATOM 32 H LIG 1 -3.806 -0.748 1.234 0.00 0.00 +0.123 HD BRANCH 31 33 ATOM 33 C LIG 1 -4.118 1.296 1.156 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -5.013 2.318 0.450 0.00 0.00 +0.019 C ATOM 35 C LIG 1 -6.415 2.049 0.988 0.00 0.00 +0.002 C ATOM 36 C LIG 1 -6.215 1.442 2.378 0.00 0.00 +0.002 C ATOM 37 C LIG 1 -4.703 1.338 2.573 0.00 0.00 +0.019 C ENDBRANCH 31 33 ENDBRANCH 24 31 ENDBRANCH 4 24 TORSDOF 7