REMARK Name = BDB003167 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.872 0.576 -2.213 0.00 0.00 -0.010 A ATOM 2 C LIG 1 -1.010 -0.530 -2.157 0.00 0.00 +0.008 A ATOM 3 C LIG 1 0.363 -0.369 -2.359 0.00 0.00 +0.013 A ATOM 4 C LIG 1 0.884 0.907 -2.595 0.00 0.00 +0.037 A ATOM 5 C LIG 1 0.034 2.013 -2.668 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -1.338 1.849 -2.466 0.00 0.00 +0.008 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.333 1.107 -2.824 0.00 0.00 +0.247 C ATOM 8 N LIG 1 3.237 0.626 -1.883 0.00 0.00 -0.295 N ATOM 9 C LIG 1 2.885 0.223 -0.515 0.00 0.00 +0.127 C ATOM 10 C LIG 1 4.010 0.492 0.506 0.00 0.00 +0.124 C ATOM 11 N LIG 1 5.277 -0.132 0.090 0.00 0.00 -0.327 N ATOM 12 C LIG 1 5.532 -0.227 -1.363 0.00 0.00 +0.124 C ATOM 13 C LIG 1 4.666 0.757 -2.168 0.00 0.00 +0.127 C ATOM 14 O LIG 1 2.677 1.697 -3.846 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 6.266 -0.457 1.005 0.00 0.00 +0.030 A ATOM 16 C LIG 1 7.304 -1.349 0.678 0.00 0.00 +0.025 A ATOM 17 C LIG 1 8.309 -1.695 1.591 0.00 0.00 +0.034 A ATOM 18 C LIG 1 8.290 -1.144 2.873 0.00 0.00 +0.126 A ATOM 19 C LIG 1 7.276 -0.258 3.238 0.00 0.00 +0.034 A ATOM 20 C LIG 1 6.280 0.073 2.308 0.00 0.00 +0.025 A BRANCH 18 21 ATOM 21 N LIG 1 9.337 -1.498 3.837 0.00 0.00 +0.056 N ATOM 22 O LIG 1 10.230 -2.272 3.463 0.00 0.00 -0.126 OA ATOM 23 O LIG 1 9.268 -1.000 4.971 0.00 0.00 -0.126 OA ENDBRANCH 18 21 ENDBRANCH 11 15 ENDBRANCH 4 7 BRANCH 1 24 ATOM 24 C LIG 1 -3.353 0.397 -1.977 0.00 0.00 +0.264 C BRANCH 24 25 ATOM 25 O LIG 1 -3.567 0.351 -0.568 0.00 0.00 -0.487 OA BRANCH 25 31 ATOM 26 C LIG 1 -8.995 -0.285 3.062 0.00 0.00 +0.045 C ATOM 27 C LIG 1 -8.765 -0.294 1.580 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -7.409 -0.124 1.040 0.00 0.00 +0.021 A ATOM 29 C LIG 1 -7.230 -0.129 -0.344 0.00 0.00 +0.143 A ATOM 30 C LIG 1 -5.976 0.027 -0.943 0.00 0.00 +0.092 A ATOM 31 C LIG 1 -4.854 0.193 -0.138 0.00 0.00 +0.125 A ATOM 32 C LIG 1 -5.010 0.199 1.251 0.00 0.00 +0.046 A ATOM 33 O LIG 1 -8.319 -0.299 -1.224 0.00 0.00 -0.422 OA ATOM 34 C LIG 1 -9.606 -0.468 -0.745 0.00 0.00 +0.337 A ATOM 35 O LIG 1 -10.568 -0.624 -1.488 0.00 0.00 -0.245 OA ATOM 36 C LIG 1 -6.273 0.043 1.837 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -9.778 -0.454 0.716 0.00 0.00 +0.096 A ENDBRANCH 25 31 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 6