REMARK Name = BDB035130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.495 -1.651 -1.123 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 -1.278 -0.218 -1.413 0.00 0.00 +0.100 C ATOM 3 C LIG 1 0.212 0.226 -1.442 0.00 0.00 +0.100 C ATOM 4 N LIG 1 1.068 -0.618 -0.589 0.00 0.00 -0.292 NA ATOM 5 C LIG 1 0.995 -2.012 -1.082 0.00 0.00 +0.100 C ATOM 6 C LIG 1 -0.383 -2.445 -1.658 0.00 0.00 +0.100 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.450 -0.106 -0.462 0.00 0.00 +0.101 C ATOM 8 C LIG 1 3.456 -1.135 0.143 0.00 0.00 +0.165 C ATOM 9 N LIG 1 4.791 -0.574 0.453 0.00 0.00 -0.277 NA ATOM 10 C LIG 1 4.775 0.631 0.928 0.00 0.00 +0.120 C ATOM 11 C LIG 1 3.578 1.483 1.099 0.00 0.00 +0.030 C ATOM 12 C LIG 1 2.483 1.131 0.412 0.00 0.00 -0.004 C BRANCH 10 13 ATOM 13 C LIG 1 6.112 1.242 1.370 0.00 0.00 +0.262 C ATOM 14 N LIG 1 7.117 0.314 1.501 0.00 0.00 -0.301 N ATOM 15 H LIG 1 6.916 -0.598 1.088 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 6.232 2.443 1.554 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 8.496 0.729 1.654 0.00 0.00 +0.135 C ATOM 18 C LIG 1 9.193 1.041 0.336 0.00 0.00 +0.153 C ATOM 19 N LIG 1 9.829 -0.233 -0.007 0.00 0.00 -0.257 N ATOM 20 C LIG 1 10.812 -0.299 -1.067 0.00 0.00 +0.151 C ATOM 21 N LIG 1 10.033 -1.001 1.115 0.00 0.00 -0.195 NA ATOM 22 C LIG 1 9.303 -0.476 2.048 0.00 0.00 +0.126 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 -2.793 -2.135 -1.598 0.00 0.00 +0.121 C BRANCH 23 33 ATOM 24 C LIG 1 -7.356 1.788 0.894 0.00 0.00 +0.077 C ATOM 25 C LIG 1 -7.629 1.579 -0.603 0.00 0.00 +0.217 C ATOM 26 O LIG 1 -8.533 2.139 -1.215 0.00 0.00 -0.275 OA ATOM 27 N LIG 1 -6.723 0.812 -1.299 0.00 0.00 -0.307 N ATOM 28 H LIG 1 -7.018 0.688 -2.260 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 -6.088 -0.305 -0.647 0.00 0.00 +0.121 C ATOM 30 C LIG 1 -5.540 0.088 0.733 0.00 0.00 +0.130 C ATOM 31 N LIG 1 -4.847 -1.036 1.389 0.00 0.00 -0.286 NA ATOM 32 C LIG 1 -4.078 -1.697 0.583 0.00 0.00 +0.110 C ATOM 33 C LIG 1 -3.955 -1.500 -0.896 0.00 0.00 -0.018 C ATOM 34 C LIG 1 -4.971 -0.841 -1.487 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -6.719 0.565 1.575 0.00 0.00 +0.041 C BRANCH 24 37 ATOM 36 C LIG 1 -9.739 1.311 1.762 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -8.594 2.309 1.643 0.00 0.00 +0.009 C ENDBRANCH 24 37 ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 6