REMARK Name = BDB029622 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.107 -0.928 -0.138 0.00 0.00 -0.326 N ATOM 2 C LIG 1 1.104 -0.605 0.890 0.00 0.00 +0.120 C ATOM 3 C LIG 1 -0.312 -0.572 0.269 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -0.744 -1.853 -0.338 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 0.415 -2.631 -0.821 0.00 0.00 +0.103 C ATOM 6 C LIG 1 1.658 -1.806 -1.234 0.00 0.00 +0.120 C ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 6.137 0.108 0.187 0.00 0.00 +0.125 A ATOM 8 N LIG 1 5.665 -0.288 -1.014 0.00 0.00 -0.249 NA ATOM 9 C LIG 1 4.349 -0.616 -1.071 0.00 0.00 +0.134 A ATOM 10 C LIG 1 3.440 -0.581 -0.004 0.00 0.00 +0.048 A ATOM 11 C LIG 1 3.989 -0.158 1.212 0.00 0.00 +0.027 A ATOM 12 C LIG 1 5.340 0.187 1.321 0.00 0.00 +0.035 A BRANCH 7 16 ATOM 13 C LIG 1 9.256 2.072 1.064 0.00 0.00 +0.128 C ATOM 14 N LIG 1 7.909 1.558 1.048 0.00 0.00 -0.313 N ATOM 15 H LIG 1 7.162 2.190 1.306 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 7.592 0.467 0.249 0.00 0.00 +0.262 C ATOM 17 O LIG 1 8.433 -0.163 -0.383 0.00 0.00 -0.269 OA ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.735 -1.641 -1.403 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 C LIG 1 -3.032 -1.039 -0.899 0.00 0.00 -0.031 A ATOM 20 C LIG 1 -3.471 0.208 -1.373 0.00 0.00 +0.031 A ATOM 21 C LIG 1 -4.667 0.747 -0.900 0.00 0.00 +0.053 A ATOM 22 N LIG 1 -5.110 2.010 -1.377 0.00 0.00 -0.321 N ATOM 23 H LIG 1 -4.558 2.513 -2.057 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 -6.282 2.644 -0.977 0.00 0.00 +0.260 A ATOM 25 C LIG 1 -7.074 1.924 -0.003 0.00 0.00 +0.085 A ATOM 26 C LIG 1 -6.646 0.704 0.457 0.00 0.00 +0.149 A ATOM 27 O LIG 1 -7.502 0.173 1.358 0.00 0.00 -0.462 OA ATOM 28 C LIG 1 -8.514 1.083 1.480 0.00 0.00 +0.196 A ATOM 29 C LIG 1 -8.295 2.176 0.663 0.00 0.00 +0.055 A ATOM 30 O LIG 1 -6.605 3.738 -1.429 0.00 0.00 -0.267 OA ATOM 31 C LIG 1 -5.436 0.039 0.050 0.00 0.00 +0.041 A ATOM 32 C LIG 1 -5.010 -1.198 0.523 0.00 0.00 +0.014 A ATOM 33 C LIG 1 -3.811 -1.733 0.047 0.00 0.00 +0.006 A ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 4