REMARK Name = BDB008262 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.175 0.794 -0.596 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.172 0.815 0.295 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.701 -0.212 0.319 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.599 -1.294 -0.538 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.446 -1.324 -1.465 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -1.347 -0.254 -1.488 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -0.602 -2.457 -2.397 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -1.418 -3.581 -2.048 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -1.574 -4.650 -2.959 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -2.329 -5.734 -2.704 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -2.960 -5.807 -1.515 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -2.879 -4.831 -0.546 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -0.923 -4.589 -4.178 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -0.119 -3.506 -4.532 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -2.103 -3.711 -0.818 0.00 0.00 +0.012 A ATOM 16 C LIG 1 0.051 -2.433 -3.653 0.00 0.00 -0.042 A ATOM 17 C LIG 1 0.933 -1.284 -4.071 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.080 3.000 0.096 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.100 1.836 -0.651 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -2.832 1.811 -1.355 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -1.255 3.323 0.943 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.323 3.877 -0.219 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -3.035 5.343 0.099 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -5.086 4.091 -1.899 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -3.714 3.668 -1.642 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -3.082 4.218 -2.230 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 -0.070 1.280 0.00 0.00 -0.265 N ATOM 28 H LIG 1 1.623 0.787 1.823 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.742 -0.909 1.579 0.00 0.00 +0.268 C ATOM 30 O LIG 1 3.004 -1.978 1.039 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 3.608 -0.395 2.691 0.00 0.00 +0.126 A ATOM 32 N LIG 1 3.244 0.800 3.234 0.00 0.00 -0.247 NA ATOM 33 C LIG 1 4.023 1.270 4.239 0.00 0.00 +0.157 A ATOM 34 C LIG 1 5.145 0.614 4.733 0.00 0.00 +0.138 A ATOM 35 C LIG 1 5.484 -0.607 4.151 0.00 0.00 +0.049 A ATOM 36 C LIG 1 4.710 -1.126 3.114 0.00 0.00 +0.036 A BRANCH 34 37 ATOM 37 O LIG 1 5.967 1.032 5.738 0.00 0.00 -0.494 OA ATOM 38 C LIG 1 5.645 2.275 6.351 0.00 0.00 +0.277 C ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 7