REMARK Name = BDB031850 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.876 -2.092 -1.696 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.371 -0.851 -2.131 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.050 -0.515 -1.813 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.800 -1.352 -1.104 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.032 -0.629 -0.997 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -1.950 0.547 -1.625 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.311 -2.603 -0.687 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.693 0.600 -2.078 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.403 1.432 -2.577 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.014 -2.952 -0.993 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.861 1.076 1.112 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.638 -0.152 0.472 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.446 -0.524 -0.592 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.494 -1.735 -1.481 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.297 -2.494 -2.017 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.676 -1.476 -2.388 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.190 -0.239 -2.043 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.993 0.163 -2.500 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.079 -2.232 -3.256 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.190 -3.109 -0.959 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.482 0.335 -0.985 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.734 1.547 -0.378 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.904 1.918 0.685 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.134 2.589 2.802 0.00 0.00 +0.277 C ATOM 25 O LIG 1 2.997 1.337 2.142 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.123 -1.151 -0.383 0.00 0.00 -0.282 N ATOM 27 H LIG 1 -3.010 -2.052 0.060 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.177 -0.443 0.246 0.00 0.00 +0.132 A ATOM 29 C LIG 1 -5.393 -1.083 0.435 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -5.675 -2.476 -0.023 0.00 0.00 +0.049 C ATOM 31 C LIG 1 -6.353 -0.339 1.083 0.00 0.00 +0.121 A ATOM 32 N LIG 1 -6.168 0.920 1.510 0.00 0.00 -0.222 NA ATOM 33 C LIG 1 -4.975 1.485 1.270 0.00 0.00 +0.219 A ATOM 34 N LIG 1 -3.982 0.822 0.660 0.00 0.00 -0.199 NA BRANCH 33 35 ATOM 35 N LIG 1 -4.766 2.809 1.665 0.00 0.00 -0.306 N ATOM 36 C LIG 1 -5.607 3.249 2.764 0.00 0.00 +0.132 C ATOM 37 C LIG 1 -3.368 3.207 1.696 0.00 0.00 +0.132 C ENDBRANCH 33 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5