REMARK Name = BDB008748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.620 1.031 1.303 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.418 1.110 0.717 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 0.198 -0.040 0.380 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.346 -1.295 0.579 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.614 -1.383 1.155 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.244 -0.191 1.540 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.252 -2.663 1.400 0.00 0.00 +0.086 A ATOM 8 C LIG 1 -2.587 -3.649 0.469 0.00 0.00 +0.067 A ATOM 9 C LIG 1 -3.164 -4.895 0.835 0.00 0.00 +0.185 A ATOM 10 N LIG 1 -3.382 -5.660 -0.233 0.00 0.00 -0.151 NA ATOM 11 N LIG 1 -2.963 -4.907 -1.267 0.00 0.00 -0.269 N ATOM 12 C LIG 1 -3.049 -5.461 -2.601 0.00 0.00 +0.172 C ATOM 13 N LIG 1 -3.440 -5.215 2.118 0.00 0.00 -0.211 NA ATOM 14 C LIG 1 -3.124 -4.210 2.974 0.00 0.00 +0.129 A ATOM 15 C LIG 1 -3.385 -4.488 4.427 0.00 0.00 +0.088 C ATOM 16 C LIG 1 -2.511 -3.652 -0.910 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -2.090 -2.638 -1.912 0.00 0.00 +0.066 C ATOM 18 N LIG 1 -2.564 -2.988 2.690 0.00 0.00 -0.232 NA ENDBRANCH 5 7 BRANCH 1 20 ATOM 19 C LIG 1 -1.857 3.486 1.530 0.00 0.00 +0.235 C ATOM 20 N LIG 1 -2.303 2.187 1.707 0.00 0.00 -0.269 N ATOM 21 H LIG 1 -3.191 2.052 2.167 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 -0.818 3.843 0.980 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 -2.834 4.523 2.139 0.00 0.00 +0.137 C ATOM 24 C LIG 1 -2.596 4.605 3.645 0.00 0.00 +0.034 C BRANCH 23 26 ATOM 25 C LIG 1 -3.171 5.952 0.201 0.00 0.00 +0.101 C ATOM 26 N LIG 1 -2.625 5.864 1.551 0.00 0.00 -0.309 NA ATOM 27 H LIG 1 -1.610 6.004 1.488 0.00 0.00 +0.122 HD ENDBRANCH 23 26 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 3 28 ATOM 28 C LIG 1 1.483 0.121 -0.218 0.00 0.00 -0.041 C ATOM 29 C LIG 1 2.563 0.265 -0.724 0.00 0.00 -0.060 C BRANCH 29 30 ATOM 30 C LIG 1 3.845 0.459 -1.329 0.00 0.00 +0.026 A ATOM 31 C LIG 1 4.177 1.717 -1.849 0.00 0.00 +0.028 A ATOM 32 C LIG 1 5.439 1.893 -2.443 0.00 0.00 +0.021 A ATOM 33 C LIG 1 6.128 2.959 -3.062 0.00 0.00 +0.143 A ATOM 34 N LIG 1 7.346 2.612 -3.484 0.00 0.00 -0.179 NA ATOM 35 N LIG 1 7.447 1.317 -3.123 0.00 0.00 -0.267 N ATOM 36 C LIG 1 8.659 0.592 -3.422 0.00 0.00 +0.173 C ATOM 37 C LIG 1 6.327 0.821 -2.499 0.00 0.00 +0.069 A ATOM 38 C LIG 1 6.012 -0.444 -1.985 0.00 0.00 +0.029 A ATOM 39 C LIG 1 4.750 -0.603 -1.397 0.00 0.00 +0.019 A ENDBRANCH 29 30 ENDBRANCH 3 28 TORSDOF 6