REMARK Name = BDB007975 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.814 -1.937 -0.364 0.00 0.00 -0.291 N ATOM 2 C LIG 1 -1.887 -1.372 -1.249 0.00 0.00 +0.230 C ATOM 3 O LIG 1 -1.619 -1.943 -2.309 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 -3.365 -3.251 -0.707 0.00 0.00 +0.136 C BRANCH 4 5 ATOM 5 C LIG 1 -2.413 -4.405 -0.379 0.00 0.00 +0.178 C BRANCH 5 7 ATOM 6 C LIG 1 -2.284 -6.755 -0.261 0.00 0.00 +0.194 C ATOM 7 O LIG 1 -3.135 -5.635 -0.470 0.00 0.00 -0.381 OA ENDBRANCH 5 7 ENDBRANCH 4 5 ENDBRANCH 1 4 BRANCH 2 8 ATOM 8 C LIG 1 -1.276 -0.003 -0.865 0.00 0.00 +0.180 C BRANCH 8 9 ATOM 9 N LIG 1 -0.057 0.331 -1.643 0.00 0.00 -0.294 NA ATOM 10 C LIG 1 0.348 1.725 -1.416 0.00 0.00 +0.085 C ATOM 11 C LIG 1 1.424 1.879 -0.345 0.00 0.00 +0.027 C ATOM 12 C LIG 1 2.706 1.122 -0.735 0.00 0.00 +0.063 C ATOM 13 C LIG 1 2.409 -0.066 -1.660 0.00 0.00 +0.027 C ATOM 14 C LIG 1 1.019 -0.643 -1.389 0.00 0.00 +0.085 C BRANCH 12 15 ATOM 15 C LIG 1 3.442 0.627 0.509 0.00 0.00 +0.166 C ATOM 16 O LIG 1 2.840 0.171 1.481 0.00 0.00 -0.292 OA BRANCH 15 17 ATOM 17 C LIG 1 4.936 0.669 0.546 0.00 0.00 +0.018 A ATOM 18 C LIG 1 5.569 0.588 1.792 0.00 0.00 +0.015 A ATOM 19 C LIG 1 6.963 0.622 1.879 0.00 0.00 +0.046 A ATOM 20 C LIG 1 7.746 0.730 0.727 0.00 0.00 +0.120 A ATOM 21 C LIG 1 7.119 0.800 -0.517 0.00 0.00 +0.046 A ATOM 22 C LIG 1 5.720 0.767 -0.609 0.00 0.00 +0.015 A BRANCH 20 23 ATOM 23 O LIG 1 9.093 0.752 0.953 0.00 0.00 -0.495 OA ATOM 24 C LIG 1 9.937 0.852 -0.188 0.00 0.00 +0.277 C ENDBRANCH 20 23 ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 2 8 BRANCH 1 25 ATOM 25 C LIG 1 -3.043 -1.451 0.999 0.00 0.00 +0.182 C BRANCH 25 26 ATOM 26 C LIG 1 -3.938 -0.220 0.977 0.00 0.00 +0.127 A ATOM 27 N LIG 1 -5.177 -0.382 0.420 0.00 0.00 -0.309 N ATOM 28 H LIG 1 -5.437 -1.251 -0.024 0.00 0.00 +0.170 HD ATOM 29 C LIG 1 -6.060 0.649 0.291 0.00 0.00 +0.257 A ATOM 30 O LIG 1 -7.135 0.525 -0.282 0.00 0.00 -0.267 OA ATOM 31 C LIG 1 -5.618 1.923 0.879 0.00 0.00 +0.064 A ATOM 32 C LIG 1 -6.555 3.086 0.836 0.00 0.00 +0.202 C ATOM 33 O LIG 1 -6.122 4.161 1.685 0.00 0.00 -0.375 OA ATOM 34 C LIG 1 -4.732 4.447 1.515 0.00 0.00 +0.166 C ATOM 35 C LIG 1 -3.891 3.267 2.000 0.00 0.00 +0.084 C ATOM 36 C LIG 1 -4.390 1.968 1.419 0.00 0.00 +0.056 A ATOM 37 N LIG 1 -3.522 0.904 1.469 0.00 0.00 -0.237 NA ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 10