REMARK Name = BDB010687 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.393 -0.967 0.289 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.101 -0.616 0.644 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.721 -1.679 0.332 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.147 -2.609 -0.223 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.215 -3.823 -0.664 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 1.526 -4.050 -0.490 0.00 0.00 +0.219 A ATOM 7 N LIG 1 2.444 -3.214 0.033 0.00 0.00 -0.206 NA ATOM 8 C LIG 1 2.076 -1.984 0.444 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.428 -2.148 -0.276 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 -7.180 -2.329 0.037 0.00 0.00 +0.109 C ATOM 11 C LIG 1 -6.230 -2.110 1.188 0.00 0.00 +0.213 C ATOM 12 N LIG 1 -5.038 -1.454 0.910 0.00 0.00 -0.298 N ATOM 13 C LIG 1 -4.512 -1.277 -0.454 0.00 0.00 +0.135 C ATOM 14 C LIG 1 -3.464 -0.133 -0.606 0.00 0.00 +0.124 C ATOM 15 N LIG 1 -2.448 -0.129 0.491 0.00 0.00 -0.291 N ATOM 16 C LIG 1 -3.070 -0.223 1.837 0.00 0.00 +0.127 C ATOM 17 C LIG 1 -4.027 -1.418 1.967 0.00 0.00 +0.127 C ATOM 18 O LIG 1 -6.535 -2.482 2.321 0.00 0.00 -0.276 OA BRANCH 14 19 ATOM 19 C LIG 1 -4.048 1.274 -0.754 0.00 0.00 -0.026 A ATOM 20 C LIG 1 -3.335 2.224 -1.510 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -3.814 3.525 -1.670 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.014 3.902 -1.075 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -5.731 2.980 -0.318 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.252 1.677 -0.156 0.00 0.00 +0.005 A ENDBRANCH 14 19 ENDBRANCH 1 15 BRANCH 6 25 ATOM 25 C LIG 1 2.023 -5.400 -0.957 0.00 0.00 +0.279 C ATOM 26 O LIG 1 3.195 -5.754 -0.901 0.00 0.00 -0.267 OA ATOM 27 N LIG 1 1.064 -6.244 -1.470 0.00 0.00 -0.323 N ATOM 28 H LIG 1 0.093 -5.955 -1.506 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 1.338 -7.164 -1.784 0.00 0.00 +0.145 HD ENDBRANCH 6 25 BRANCH 8 30 ATOM 30 N LIG 1 3.029 -1.112 0.947 0.00 0.00 -0.324 N ATOM 31 H LIG 1 2.827 -0.137 0.784 0.00 0.00 +0.148 HD BRANCH 30 32 ATOM 32 C LIG 1 4.449 -1.446 0.791 0.00 0.00 +0.072 C ATOM 33 C LIG 1 5.162 -0.956 2.057 0.00 0.00 +0.028 C BRANCH 32 34 ATOM 34 C LIG 1 5.051 -0.732 -0.431 0.00 0.00 +0.009 C ATOM 35 C LIG 1 6.456 -1.229 -0.883 0.00 0.00 +0.005 C ATOM 36 C LIG 1 5.745 -2.122 -1.917 0.00 0.00 +0.001 C ATOM 37 C LIG 1 4.563 -1.140 -1.853 0.00 0.00 +0.005 C ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 8 30 BRANCH 2 38 ATOM 38 C LIG 1 0.272 0.649 1.253 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 0.300 1.845 0.280 0.00 0.00 +0.009 C ATOM 40 C LIG 1 1.400 1.752 -0.797 0.00 0.00 +0.005 C ATOM 41 C LIG 1 2.652 2.537 -0.418 0.00 0.00 +0.003 C ATOM 42 C LIG 1 2.362 4.037 -0.227 0.00 0.00 -0.014 C ATOM 43 C LIG 1 2.664 4.832 -1.498 0.00 0.00 +0.007 C ATOM 44 C LIG 1 0.918 4.302 0.234 0.00 0.00 +0.003 C ATOM 45 C LIG 1 0.391 3.156 1.087 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 2 38 TORSDOF 8