REMARK Name = BDB029676 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.212 -1.725 0.905 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 0.134 -0.718 -0.127 0.00 0.00 +0.103 C ATOM 3 C LIG 1 1.576 -0.829 -0.674 0.00 0.00 +0.120 C ATOM 4 N LIG 1 2.550 -0.648 0.417 0.00 0.00 -0.326 N ATOM 5 C LIG 1 2.143 -1.146 1.742 0.00 0.00 +0.120 C ATOM 6 C LIG 1 0.995 -2.176 1.631 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.858 -0.274 0.163 0.00 0.00 +0.048 A ATOM 8 C LIG 1 4.430 -0.264 -1.112 0.00 0.00 +0.136 A ATOM 9 N LIG 1 5.702 0.104 -1.415 0.00 0.00 -0.234 NA ATOM 10 C LIG 1 6.502 0.505 -0.398 0.00 0.00 +0.154 A ATOM 11 C LIG 1 6.040 0.543 0.913 0.00 0.00 +0.050 A ATOM 12 C LIG 1 4.720 0.154 1.179 0.00 0.00 +0.028 A BRANCH 10 13 ATOM 13 N LIG 1 7.849 0.898 -0.704 0.00 0.00 -0.222 N ATOM 14 N LIG 1 8.321 0.871 -1.982 0.00 0.00 -0.173 NA ATOM 15 C LIG 1 9.581 1.292 -1.895 0.00 0.00 +0.135 A ATOM 16 C LIG 1 9.956 1.597 -0.581 0.00 0.00 +0.041 A ATOM 17 C LIG 1 8.832 1.338 0.167 0.00 0.00 +0.116 A ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 -1.243 -1.226 1.826 0.00 0.00 +0.121 C BRANCH 18 28 ATOM 19 C LIG 1 -6.886 0.724 -0.785 0.00 0.00 +0.019 A ATOM 20 C LIG 1 -6.216 1.918 -0.170 0.00 0.00 +0.252 A ATOM 21 O LIG 1 -6.720 3.035 -0.206 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 -5.005 1.709 0.439 0.00 0.00 -0.321 N ATOM 23 H LIG 1 -4.571 2.525 0.849 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 -4.381 0.458 0.497 0.00 0.00 +0.068 A ATOM 25 C LIG 1 -4.994 -0.651 -0.084 0.00 0.00 +0.088 A ATOM 26 N LIG 1 -4.464 -1.891 -0.076 0.00 0.00 -0.253 NA ATOM 27 C LIG 1 -3.264 -2.023 0.538 0.00 0.00 +0.116 A ATOM 28 C LIG 1 -2.570 -0.978 1.151 0.00 0.00 -0.013 A ATOM 29 C LIG 1 -3.153 0.294 1.125 0.00 0.00 +0.034 A ATOM 30 C LIG 1 -6.284 -0.478 -0.742 0.00 0.00 +0.038 A BRANCH 19 32 ATOM 31 C LIG 1 -9.356 1.066 -0.472 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -8.208 0.950 -1.465 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 5