REMARK Name = BDB008260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.895 -0.408 0.209 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.607 -0.772 0.103 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.345 0.175 0.095 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.039 1.525 0.208 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -1.298 1.918 0.294 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -2.279 0.925 0.282 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.664 3.343 0.386 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -1.893 4.113 -0.800 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -2.247 5.477 -0.697 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -2.478 6.263 -1.764 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -2.365 5.721 -2.994 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -2.026 4.405 -3.220 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -2.365 6.044 0.559 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -2.144 5.309 1.724 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -1.789 3.598 -2.113 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -1.793 3.959 1.654 0.00 0.00 -0.042 A ATOM 17 C LIG 1 -1.564 3.201 2.936 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.749 -2.726 0.375 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.922 -1.362 0.211 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.867 -1.015 0.161 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -1.714 -3.306 0.688 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -4.064 -3.511 0.139 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -4.295 -3.652 -1.364 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -4.142 -4.816 2.190 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -3.999 -4.861 0.739 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -3.061 -5.226 0.531 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 1.697 -0.152 -0.021 0.00 0.00 -0.264 N ATOM 28 H LIG 1 2.383 0.587 0.087 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.227 -1.400 -0.309 0.00 0.00 +0.287 C ATOM 30 O LIG 1 1.610 -2.418 -0.593 0.00 0.00 -0.266 OA BRANCH 29 31 ATOM 31 C LIG 1 3.740 -1.394 -0.287 0.00 0.00 +0.217 A ATOM 32 N LIG 1 4.384 -2.547 -0.545 0.00 0.00 -0.223 NA ATOM 33 C LIG 1 5.720 -2.514 -0.524 0.00 0.00 +0.075 A ATOM 34 C LIG 1 6.438 -1.343 -0.253 0.00 0.00 +0.019 A ATOM 35 C LIG 1 7.847 -1.342 -0.239 0.00 0.00 +0.011 A ATOM 36 C LIG 1 8.544 -2.519 -0.497 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.839 -3.688 -0.767 0.00 0.00 +0.002 A ATOM 38 C LIG 1 5.669 -0.213 -0.007 0.00 0.00 +0.123 A ATOM 39 C LIG 1 6.440 -3.674 -0.778 0.00 0.00 +0.028 A ATOM 40 N LIG 1 4.323 -0.198 -0.017 0.00 0.00 -0.231 NA ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6