REMARK Name = BDB008267 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.508 -0.852 -0.174 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.229 -1.026 -0.548 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.628 0.004 -0.448 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.235 1.243 0.042 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -1.094 1.437 0.425 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -1.978 0.364 0.303 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.549 2.737 0.952 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -1.475 3.020 2.354 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -1.915 4.269 2.846 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -1.877 4.605 4.148 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -1.394 3.704 5.027 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -0.937 2.455 4.666 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -2.413 5.200 1.952 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -2.492 4.942 0.584 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -0.980 2.114 3.319 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -2.063 3.716 0.068 0.00 0.00 -0.042 A ATOM 17 C LIG 1 -2.168 3.476 -1.416 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.180 -3.218 -0.531 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.439 -1.885 -0.274 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.409 -1.702 -0.035 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -1.086 -3.756 -0.640 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.507 -4.005 -0.710 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -3.282 -5.499 -0.490 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -5.883 -3.803 -0.176 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -4.528 -3.437 0.218 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -4.344 -3.808 1.154 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 1.967 -0.122 -0.827 0.00 0.00 -0.264 N ATOM 28 H LIG 1 2.579 0.668 -0.675 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.557 -1.220 -1.416 0.00 0.00 +0.285 C ATOM 30 O LIG 1 2.004 -2.258 -1.754 0.00 0.00 -0.266 OA BRANCH 29 31 ATOM 31 C LIG 1 3.980 -1.017 -1.637 0.00 0.00 +0.191 A ATOM 32 O LIG 1 4.554 0.179 -1.281 0.00 0.00 -0.450 OA ATOM 33 C LIG 1 5.876 0.098 -1.599 0.00 0.00 +0.136 A ATOM 34 C LIG 1 6.166 -1.140 -2.158 0.00 0.00 +0.021 A ATOM 35 C LIG 1 7.489 -1.407 -2.551 0.00 0.00 +0.011 A ATOM 36 C LIG 1 8.460 -0.412 -2.363 0.00 0.00 +0.001 A ATOM 37 C LIG 1 8.128 0.822 -1.797 0.00 0.00 +0.004 A ATOM 38 C LIG 1 6.817 1.106 -1.399 0.00 0.00 +0.047 A ATOM 39 C LIG 1 4.940 -1.851 -2.180 0.00 0.00 +0.063 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6