REMARK Name = BDB031832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.838 0.474 -0.491 0.00 0.00 +0.152 A ATOM 2 C LIG 1 -0.738 -0.135 -1.175 0.00 0.00 +0.041 A ATOM 3 C LIG 1 0.215 0.866 -1.296 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.456 0.676 -1.915 0.00 0.00 +0.031 A ATOM 5 C LIG 1 1.768 -0.599 -2.426 0.00 0.00 -0.041 A ATOM 6 C LIG 1 0.800 -1.612 -2.323 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -0.346 1.960 -0.703 0.00 0.00 -0.275 N ATOM 8 H LIG 1 0.062 2.882 -0.598 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -0.443 -1.405 -1.705 0.00 0.00 +0.014 A ATOM 10 N LIG 1 -1.576 1.755 -0.213 0.00 0.00 -0.158 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 3.098 -0.847 -3.101 0.00 0.00 +0.040 C ATOM 12 C LIG 1 4.414 -0.745 -2.357 0.00 0.00 +0.081 C ATOM 13 C LIG 1 4.582 -0.399 -0.904 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.732 0.395 -0.785 0.00 0.00 +0.038 A ATOM 15 C LIG 1 6.189 0.893 0.417 0.00 0.00 +0.027 A ATOM 16 C LIG 1 5.455 0.576 1.565 0.00 0.00 +0.047 A ATOM 17 C LIG 1 4.302 -0.226 1.484 0.00 0.00 +0.120 A ATOM 18 N LIG 1 6.312 0.569 -2.042 0.00 0.00 -0.284 N ATOM 19 H LIG 1 7.158 1.083 -2.235 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 3.870 -0.718 0.243 0.00 0.00 +0.052 A ATOM 21 C LIG 1 5.599 -0.090 -3.028 0.00 0.00 +0.228 C ATOM 22 O LIG 1 5.854 -0.143 -4.219 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 3.908 -2.090 -2.792 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 3.516 -0.601 2.540 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 3.871 -0.101 3.822 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 26 ATOM 26 N LIG 1 -2.963 -0.220 -0.199 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -3.010 -1.196 -0.478 0.00 0.00 +0.154 HD BRANCH 26 30 ATOM 28 C LIG 1 -5.648 1.690 1.597 0.00 0.00 +0.140 A ATOM 29 C LIG 1 -4.432 1.414 0.966 0.00 0.00 +0.075 A ATOM 30 C LIG 1 -4.164 0.143 0.454 0.00 0.00 +0.098 A ATOM 31 C LIG 1 -5.181 -0.816 0.616 0.00 0.00 +0.237 A ATOM 32 N LIG 1 -6.371 -0.593 1.220 0.00 0.00 -0.216 NA ATOM 33 C LIG 1 -6.572 0.658 1.696 0.00 0.00 +0.160 A BRANCH 28 35 ATOM 34 C LIG 1 -7.026 3.279 2.699 0.00 0.00 +0.277 C ATOM 35 O LIG 1 -5.795 2.967 2.058 0.00 0.00 -0.494 OA ENDBRANCH 28 35 BRANCH 31 36 ATOM 36 O LIG 1 -4.908 -2.079 0.103 0.00 0.00 -0.478 OA ATOM 37 C LIG 1 -5.977 -3.000 0.298 0.00 0.00 +0.279 C ENDBRANCH 31 36 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 6