REMARK Name = BDB004142 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.063 0.787 -0.152 0.00 0.00 +0.027 A ATOM 2 C LIG 1 -0.828 1.466 -1.105 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -2.119 1.040 -1.455 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -2.708 -0.072 -0.843 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -1.957 -0.732 0.133 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.665 -0.299 0.481 0.00 0.00 +0.025 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -4.016 -0.499 -1.208 0.00 0.00 -0.270 N ATOM 8 C LIG 1 -4.796 -1.458 -0.536 0.00 0.00 +0.240 C ATOM 9 O LIG 1 -4.525 -2.097 0.472 0.00 0.00 -0.273 OA ATOM 10 C LIG 1 -6.172 -1.502 -1.211 0.00 0.00 +0.165 C ATOM 11 C LIG 1 -5.946 -0.765 -2.527 0.00 0.00 +0.051 C ATOM 12 C LIG 1 -4.781 0.158 -2.242 0.00 0.00 +0.116 C BRANCH 10 13 ATOM 13 N LIG 1 -7.300 -0.972 -0.417 0.00 0.00 -0.274 N ATOM 14 C LIG 1 -8.552 -1.401 -0.814 0.00 0.00 +0.309 C ATOM 15 O LIG 1 -8.730 -2.150 -1.774 0.00 0.00 -0.252 OA ATOM 16 N LIG 1 -9.634 -0.993 -0.098 0.00 0.00 -0.240 N ATOM 17 H LIG 1 -10.455 -1.381 -0.548 0.00 0.00 +0.159 HD ATOM 18 C LIG 1 -9.721 -1.295 1.234 0.00 0.00 +0.220 C ATOM 19 O LIG 1 -10.676 -1.934 1.670 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -8.587 -0.839 2.120 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -7.993 0.454 1.589 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -7.073 0.236 0.388 0.00 0.00 +0.110 C ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 N LIG 1 1.183 1.300 0.191 0.00 0.00 -0.344 N ATOM 24 H LIG 1 1.589 1.883 -0.534 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 2.167 0.539 0.954 0.00 0.00 +0.101 C BRANCH 25 26 ATOM 26 C LIG 1 2.812 -0.584 0.133 0.00 0.00 +0.019 C BRANCH 26 27 ATOM 27 C LIG 1 3.657 -0.115 -1.060 0.00 0.00 +0.002 C BRANCH 27 28 ATOM 28 C LIG 1 5.153 0.036 -0.768 0.00 0.00 +0.011 C BRANCH 28 29 ATOM 29 C LIG 1 5.490 1.133 0.233 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 C LIG 1 6.973 1.403 0.248 0.00 0.00 +0.308 C ATOM 31 O LIG 1 7.491 2.372 -0.286 0.00 0.00 -0.251 OA BRANCH 30 32 ATOM 32 O LIG 1 7.617 0.414 0.922 0.00 0.00 -0.459 OA BRANCH 32 34 ATOM 33 C LIG 1 9.530 1.654 1.857 0.00 0.00 +0.055 C ATOM 34 C LIG 1 9.061 0.430 1.063 0.00 0.00 +0.105 C ATOM 35 C LIG 1 9.752 0.333 -0.301 0.00 0.00 +0.055 C ATOM 36 C LIG 1 9.389 -0.835 1.871 0.00 0.00 +0.055 C ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 11