REMARK Name = BDB023884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.243 5.259 -1.219 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -4.954 3.908 -0.799 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -5.675 3.474 -0.247 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -3.676 3.583 -0.418 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -3.485 2.266 -0.037 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -2.196 1.977 0.623 0.00 0.00 +0.148 C ATOM 7 C LIG 1 -1.906 0.518 0.630 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -0.773 -0.188 1.103 0.00 0.00 +0.098 A ATOM 9 N LIG 1 -0.919 -1.508 0.909 0.00 0.00 -0.170 NA ATOM 10 N LIG 1 -2.118 -1.649 0.307 0.00 0.00 -0.264 N ATOM 11 C LIG 1 -2.751 -0.452 0.134 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -4.062 -0.151 -0.486 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -4.540 1.229 0.014 0.00 0.00 +0.116 C ATOM 14 O LIG 1 -2.770 4.412 -0.425 0.00 0.00 -0.253 OA ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 0.425 0.362 1.731 0.00 0.00 +0.006 A ATOM 16 C LIG 1 1.695 0.276 1.120 0.00 0.00 -0.032 A ATOM 17 C LIG 1 1.896 -0.417 -0.205 0.00 0.00 +0.058 C ATOM 18 C LIG 1 3.125 0.095 -0.971 0.00 0.00 +0.075 C ATOM 19 N LIG 1 4.320 0.054 -0.111 0.00 0.00 -0.320 N ATOM 20 C LIG 1 4.220 0.720 1.197 0.00 0.00 +0.141 C ATOM 21 C LIG 1 2.916 1.496 -1.555 0.00 0.00 +0.028 C ATOM 22 C LIG 1 2.822 0.806 1.777 0.00 0.00 -0.026 A ATOM 23 C LIG 1 2.658 1.443 3.020 0.00 0.00 +0.005 A ATOM 24 C LIG 1 1.402 1.541 3.613 0.00 0.00 +0.001 A ATOM 25 C LIG 1 0.291 0.999 2.973 0.00 0.00 +0.010 A BRANCH 19 26 ATOM 26 C LIG 1 5.555 -0.191 -0.648 0.00 0.00 +0.068 A ATOM 27 C LIG 1 6.769 -0.079 -0.009 0.00 0.00 +0.131 A ATOM 28 N LIG 1 7.721 -0.428 -0.923 0.00 0.00 -0.273 N ATOM 29 C LIG 1 9.147 -0.470 -0.715 0.00 0.00 +0.172 C ATOM 30 N LIG 1 7.220 -0.760 -2.125 0.00 0.00 -0.178 NA ATOM 31 C LIG 1 5.900 -0.624 -1.953 0.00 0.00 +0.157 A ENDBRANCH 19 26 ENDBRANCH 8 15 BRANCH 10 32 ATOM 32 C LIG 1 -2.563 -3.000 -0.015 0.00 0.00 +0.112 C ATOM 33 C LIG 1 -2.901 -3.198 -1.500 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -4.031 -4.202 -1.682 0.00 0.00 +0.162 C ATOM 35 O LIG 1 -3.865 -5.280 -0.772 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 -4.071 -4.912 0.592 0.00 0.00 +0.162 C ATOM 37 C LIG 1 -3.691 -3.469 0.903 0.00 0.00 +0.055 C ENDBRANCH 10 32 TORSDOF 3