REMARK Name = BDB008765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.450 0.190 -0.240 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.256 -0.426 -0.148 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 0.836 0.280 -0.504 0.00 0.00 +0.116 A ATOM 4 C LIG 1 0.802 1.593 -0.935 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -0.436 2.236 -1.014 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -1.580 1.500 -0.680 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -0.522 3.614 -1.483 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -1.087 4.683 -0.793 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -1.123 5.933 -1.398 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -1.760 6.789 -0.472 0.00 0.00 +0.086 A ATOM 11 N LIG 1 -2.090 6.140 0.652 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 -2.062 8.229 -0.637 0.00 0.00 +0.070 C ATOM 13 N LIG 1 -0.624 6.186 -2.627 0.00 0.00 -0.232 NA ATOM 14 C LIG 1 -0.075 5.112 -3.203 0.00 0.00 +0.222 A ATOM 15 N LIG 1 -1.654 4.878 0.441 0.00 0.00 -0.263 N ATOM 16 C LIG 1 -1.793 3.931 1.524 0.00 0.00 +0.173 C ATOM 17 N LIG 1 0.011 3.867 -2.705 0.00 0.00 -0.233 NA ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -3.859 -0.285 0.239 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.522 -0.605 0.148 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -2.280 -1.565 0.381 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -4.341 0.824 0.030 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -4.710 -1.487 0.742 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 N LIG 1 -4.062 -2.753 0.311 0.00 0.00 -0.306 NA ATOM 24 H LIG 1 -4.135 -2.824 -0.706 0.00 0.00 +0.123 HD BRANCH 23 26 ATOM 25 C LIG 1 -4.433 -4.064 2.406 0.00 0.00 +0.020 C ATOM 26 C LIG 1 -4.634 -3.966 0.900 0.00 0.00 +0.078 C ENDBRANCH 23 26 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 C LIG 1 -6.187 -1.336 0.334 0.00 0.00 +0.025 C ATOM 28 C LIG 1 -6.452 -1.484 -1.159 0.00 0.00 +0.006 C ENDBRANCH 22 27 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 29 ATOM 29 C LIG 1 2.068 -0.431 -0.397 0.00 0.00 -0.041 C ATOM 30 C LIG 1 3.108 -1.026 -0.306 0.00 0.00 -0.060 C BRANCH 30 31 ATOM 31 C LIG 1 4.346 -1.733 -0.196 0.00 0.00 +0.026 A ATOM 32 C LIG 1 4.832 -2.102 1.061 0.00 0.00 +0.025 A ATOM 33 C LIG 1 6.049 -2.794 1.188 0.00 0.00 -0.014 A ATOM 34 C LIG 1 6.796 -3.125 0.035 0.00 0.00 +0.003 A ATOM 35 C LIG 1 8.011 -3.820 0.232 0.00 0.00 +0.046 A ATOM 36 N LIG 1 8.477 -4.175 1.458 0.00 0.00 -0.260 NA ATOM 37 C LIG 1 7.732 -3.840 2.528 0.00 0.00 +0.111 A ATOM 38 C LIG 1 8.885 -4.222 -0.923 0.00 0.00 +0.066 C ATOM 39 C LIG 1 6.283 -2.742 -1.227 0.00 0.00 +0.011 A ATOM 40 C LIG 1 6.532 -3.161 2.447 0.00 0.00 +0.028 A ATOM 41 C LIG 1 5.072 -2.054 -1.339 0.00 0.00 +0.017 A ENDBRANCH 30 31 ENDBRANCH 3 29 TORSDOF 8