REMARK Name = BDB008767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.691 -0.990 0.644 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.378 -1.116 0.406 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 0.347 0.006 0.237 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.187 1.281 0.264 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.560 1.417 0.473 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -2.312 0.253 0.687 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.197 2.725 0.513 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -2.268 3.627 -0.543 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -2.871 4.860 -0.338 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -2.765 5.546 -1.569 0.00 0.00 +0.086 A ATOM 11 N LIG 1 -2.153 4.798 -2.498 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 -3.239 6.913 -1.882 0.00 0.00 +0.070 C ATOM 13 N LIG 1 -3.419 5.238 0.837 0.00 0.00 -0.232 NA ATOM 14 C LIG 1 -3.334 4.300 1.785 0.00 0.00 +0.222 A ATOM 15 N LIG 1 -1.895 3.634 -1.863 0.00 0.00 -0.263 N ATOM 16 C LIG 1 -1.313 2.559 -2.633 0.00 0.00 +0.173 C ATOM 17 N LIG 1 -2.773 3.081 1.687 0.00 0.00 -0.233 NA ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.066 -3.433 0.813 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.494 -2.116 0.864 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.466 -1.949 1.070 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -0.937 -3.829 0.537 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.179 -4.450 1.164 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -4.358 -4.340 0.199 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -2.664 -4.706 3.523 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -3.662 -4.264 2.552 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -3.882 -3.288 2.732 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 C LIG 1 1.738 -0.210 0.009 0.00 0.00 -0.041 C ATOM 28 C LIG 1 2.905 -0.418 -0.185 0.00 0.00 -0.059 C BRANCH 28 29 ATOM 29 C LIG 1 4.287 -0.703 -0.418 0.00 0.00 +0.029 A ATOM 30 C LIG 1 5.199 0.332 -0.594 0.00 0.00 +0.040 A ATOM 31 C LIG 1 6.531 0.007 -0.820 0.00 0.00 +0.040 A ATOM 32 C LIG 1 7.547 1.091 -1.019 0.00 0.00 +0.065 C ATOM 33 N LIG 1 6.970 -1.273 -0.877 0.00 0.00 -0.257 NA ATOM 34 C LIG 1 6.068 -2.268 -0.702 0.00 0.00 +0.040 A ATOM 35 C LIG 1 6.577 -3.677 -0.766 0.00 0.00 +0.065 C ATOM 36 C LIG 1 4.721 -2.024 -0.471 0.00 0.00 +0.040 A ENDBRANCH 28 29 ENDBRANCH 3 27 TORSDOF 6