REMARK Name = BDB061810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.548 0.864 0.066 0.00 0.00 +0.078 A ATOM 2 C LIG 1 2.448 1.465 -0.836 0.00 0.00 +0.142 A ATOM 3 C LIG 1 3.835 1.274 -0.742 0.00 0.00 +0.059 A ATOM 4 C LIG 1 4.370 0.428 0.234 0.00 0.00 +0.021 A ATOM 5 C LIG 1 3.485 -0.220 1.102 0.00 0.00 +0.013 A ATOM 6 C LIG 1 2.103 -0.002 1.021 0.00 0.00 +0.028 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 5.811 0.193 0.363 0.00 0.00 +0.139 A ATOM 8 N LIG 1 6.781 1.027 -0.145 0.00 0.00 -0.338 N ATOM 9 H LIG 1 6.611 1.887 -0.643 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 8.017 0.518 0.164 0.00 0.00 +0.067 A ATOM 11 C LIG 1 7.745 -0.644 0.878 0.00 0.00 +0.102 A ATOM 12 C LIG 1 8.821 -1.421 1.352 0.00 0.00 +0.064 A ATOM 13 C LIG 1 10.132 -0.985 1.082 0.00 0.00 +0.015 A ATOM 14 C LIG 1 10.367 0.190 0.363 0.00 0.00 +0.003 A ATOM 15 C LIG 1 9.309 0.970 -0.114 0.00 0.00 +0.028 A ATOM 16 N LIG 1 6.378 -0.820 0.996 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 8.614 -2.674 2.116 0.00 0.00 +0.244 C ATOM 18 O LIG 1 9.559 -3.334 2.532 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 7.327 -3.069 2.338 0.00 0.00 -0.325 N ATOM 20 H LIG 1 6.542 -2.521 1.991 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 7.155 -3.919 2.854 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 N LIG 1 0.160 1.100 0.052 0.00 0.00 -0.269 N ATOM 23 C LIG 1 -0.292 2.474 -0.145 0.00 0.00 +0.138 C BRANCH 22 30 ATOM 24 C LIG 1 -5.528 -0.849 0.327 0.00 0.00 +0.161 C ATOM 25 N LIG 1 -4.452 0.089 -0.036 0.00 0.00 -0.299 N ATOM 26 C LIG 1 -3.140 -0.377 0.001 0.00 0.00 +0.149 A ATOM 27 C LIG 1 -2.872 -1.741 0.038 0.00 0.00 +0.095 A ATOM 28 C LIG 1 -1.533 -2.067 0.092 0.00 0.00 +0.141 A ATOM 29 N LIG 1 -0.533 -1.166 0.111 0.00 0.00 -0.221 NA ATOM 30 C LIG 1 -0.862 0.134 0.065 0.00 0.00 +0.224 A ATOM 31 N LIG 1 -3.914 -2.708 -0.057 0.00 0.00 -0.269 N ATOM 32 C LIG 1 -3.593 -4.109 -0.267 0.00 0.00 +0.138 C ATOM 33 N LIG 1 -2.145 0.534 -0.002 0.00 0.00 -0.197 NA ATOM 34 C LIG 1 -5.242 -2.296 -0.114 0.00 0.00 +0.240 C ATOM 35 O LIG 1 -6.167 -3.058 -0.408 0.00 0.00 -0.273 OA BRANCH 25 36 ATOM 36 C LIG 1 -4.726 1.343 -0.737 0.00 0.00 +0.076 C ATOM 37 C LIG 1 -5.223 1.103 -2.174 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -6.522 1.893 -2.308 0.00 0.00 +0.002 C ATOM 39 C LIG 1 -6.438 2.954 -1.224 0.00 0.00 +0.002 C ATOM 40 C LIG 1 -5.804 2.203 -0.063 0.00 0.00 +0.022 C ENDBRANCH 25 36 BRANCH 24 42 ATOM 41 C LIG 1 -7.061 -1.398 2.292 0.00 0.00 +0.006 C ATOM 42 C LIG 1 -5.728 -0.804 1.856 0.00 0.00 +0.028 C ENDBRANCH 24 42 ENDBRANCH 22 30 ENDBRANCH 1 22 BRANCH 2 43 ATOM 43 O LIG 1 2.017 2.281 -1.858 0.00 0.00 -0.493 OA ATOM 44 C LIG 1 1.601 1.483 -2.969 0.00 0.00 +0.277 C ENDBRANCH 2 43 TORSDOF 7