REMARK Name = BDB050777 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.445 -0.832 -0.988 0.00 0.00 +0.031 A ATOM 2 C LIG 1 0.260 0.071 0.064 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -1.026 0.447 0.478 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -2.162 -0.091 -0.139 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -1.974 -1.027 -1.165 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -0.689 -1.400 -1.577 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.528 0.272 0.253 0.00 0.00 +0.139 A ATOM 8 N LIG 1 -3.852 1.294 1.115 0.00 0.00 -0.338 N ATOM 9 H LIG 1 -3.195 1.909 1.569 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 -5.216 1.353 1.247 0.00 0.00 +0.067 A ATOM 11 C LIG 1 -5.690 0.345 0.412 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -7.080 0.146 0.320 0.00 0.00 +0.064 A ATOM 13 C LIG 1 -7.939 0.969 1.074 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -7.424 1.970 1.901 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -6.045 2.185 2.004 0.00 0.00 +0.028 A ATOM 16 N LIG 1 -4.632 -0.314 -0.172 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 -7.633 -0.895 -0.566 0.00 0.00 +0.244 C ATOM 18 O LIG 1 -7.236 -1.085 -1.706 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 -8.650 -1.650 -0.040 0.00 0.00 -0.325 N ATOM 20 H LIG 1 -8.797 -1.700 0.958 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 -8.921 -2.453 -0.594 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 N LIG 1 1.728 -1.282 -1.395 0.00 0.00 -0.313 N ATOM 23 H LIG 1 1.712 -1.517 -2.385 0.00 0.00 +0.152 HD BRANCH 22 27 ATOM 24 C LIG 1 5.599 -0.785 1.540 0.00 0.00 +0.146 A ATOM 25 C LIG 1 4.875 -0.379 0.399 0.00 0.00 +0.115 A ATOM 26 C LIG 1 3.677 -1.050 0.088 0.00 0.00 +0.026 A ATOM 27 C LIG 1 2.962 -0.634 -1.065 0.00 0.00 +0.050 A ATOM 28 C LIG 1 3.441 0.440 -1.858 0.00 0.00 +0.022 A ATOM 29 C LIG 1 4.648 1.031 -1.455 0.00 0.00 +0.074 A ATOM 30 C LIG 1 5.165 2.082 -2.201 0.00 0.00 +0.028 A ATOM 31 C LIG 1 4.518 2.575 -3.336 0.00 0.00 +0.002 A ATOM 32 C LIG 1 3.318 2.008 -3.738 0.00 0.00 +0.001 A ATOM 33 C LIG 1 2.781 0.951 -3.006 0.00 0.00 +0.012 A ATOM 34 C LIG 1 3.240 -2.107 0.919 0.00 0.00 +0.012 A ATOM 35 C LIG 1 3.964 -2.494 2.041 0.00 0.00 +0.004 A ATOM 36 N LIG 1 5.329 0.632 -0.374 0.00 0.00 -0.243 NA ATOM 37 C LIG 1 5.144 -1.832 2.353 0.00 0.00 +0.048 A BRANCH 24 39 ATOM 38 C LIG 1 7.575 -0.502 2.871 0.00 0.00 +0.277 C ATOM 39 O LIG 1 6.760 -0.082 1.788 0.00 0.00 -0.493 OA ENDBRANCH 24 39 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 5