REMARK Name = BDB030639 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.444 0.307 0.277 0.00 0.00 -0.219 N ATOM 2 C LIG 1 0.520 1.278 0.147 0.00 0.00 +0.255 C ATOM 3 O LIG 1 0.432 2.490 0.192 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.798 0.603 -0.058 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.546 -0.752 -0.100 0.00 0.00 +0.049 A ATOM 6 C LIG 1 2.550 -1.680 -0.308 0.00 0.00 +0.014 A ATOM 7 C LIG 1 3.853 -1.193 -0.462 0.00 0.00 +0.016 A ATOM 8 C LIG 1 4.113 0.198 -0.398 0.00 0.00 +0.060 A ATOM 9 C LIG 1 3.071 1.117 -0.210 0.00 0.00 +0.028 A ATOM 10 C LIG 1 0.109 -0.933 0.071 0.00 0.00 +0.255 C ATOM 11 O LIG 1 -0.429 -2.020 0.002 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -2.277 1.970 0.779 0.00 0.00 +0.042 C ATOM 13 C LIG 1 -1.909 0.545 0.303 0.00 0.00 +0.119 C ATOM 14 C LIG 1 -2.396 0.441 -1.160 0.00 0.00 +0.243 C ATOM 15 O LIG 1 -1.696 0.687 -2.139 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -3.717 0.113 -1.305 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -4.071 0.196 -2.250 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -4.224 -0.997 -0.690 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -5.201 -1.580 -1.151 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -3.442 -1.536 0.482 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -2.667 -0.453 1.223 0.00 0.00 +0.045 C ENDBRANCH 1 13 BRANCH 8 22 ATOM 22 C LIG 1 5.485 0.725 -0.579 0.00 0.00 +0.337 C ATOM 23 O LIG 1 5.725 1.734 -1.216 0.00 0.00 -0.245 OA BRANCH 22 24 ATOM 24 O LIG 1 6.422 0.001 0.065 0.00 0.00 -0.477 OA ATOM 25 H LIG 1 6.083 -0.679 0.675 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 3