REMARK Name = BDB047466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.904 0.909 0.319 0.00 0.00 +0.162 A ATOM 2 C LIG 1 7.170 -0.440 0.035 0.00 0.00 +0.165 A ATOM 3 C LIG 1 6.148 -1.242 -0.476 0.00 0.00 +0.096 A ATOM 4 C LIG 1 4.861 -0.727 -0.697 0.00 0.00 +0.139 A ATOM 5 O LIG 1 3.986 -1.648 -1.225 0.00 0.00 -0.436 OA ATOM 6 C LIG 1 2.713 -1.682 -0.701 0.00 0.00 +0.247 A ATOM 7 C LIG 1 1.853 -0.612 -0.901 0.00 0.00 +0.131 A ATOM 8 N LIG 1 2.288 0.597 -1.488 0.00 0.00 -0.333 N ATOM 9 H LIG 1 1.492 1.173 -1.751 0.00 0.00 +0.147 HD ATOM 10 C LIG 1 3.249 1.302 -0.649 0.00 0.00 +0.141 C ATOM 11 C LIG 1 0.550 -0.813 -0.429 0.00 0.00 +0.151 A ATOM 12 N LIG 1 0.160 -1.972 0.131 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 1.084 -2.938 0.238 0.00 0.00 +0.227 A ATOM 14 N LIG 1 2.358 -2.857 -0.150 0.00 0.00 -0.199 NA ATOM 15 C LIG 1 4.582 0.621 -0.446 0.00 0.00 +0.016 A ATOM 16 C LIG 1 5.622 1.422 0.080 0.00 0.00 +0.058 A ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 7.745 3.020 1.070 0.00 0.00 +0.277 C ATOM 18 O LIG 1 7.951 1.637 0.825 0.00 0.00 -0.491 OA ENDBRANCH 1 18 BRANCH 2 19 ATOM 19 O LIG 1 8.447 -0.874 0.289 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 8.745 -2.237 0.022 0.00 0.00 +0.277 C ENDBRANCH 2 19 BRANCH 11 21 ATOM 21 N LIG 1 -0.369 0.270 -0.532 0.00 0.00 -0.295 N ATOM 22 H LIG 1 0.054 1.084 -0.097 0.00 0.00 +0.154 HD BRANCH 21 23 ATOM 23 C LIG 1 -1.760 0.227 -0.337 0.00 0.00 +0.069 A ATOM 24 C LIG 1 -2.562 -0.880 -0.536 0.00 0.00 +0.139 A ATOM 25 N LIG 1 -3.911 -0.883 -0.422 0.00 0.00 -0.221 NA ATOM 26 C LIG 1 -4.497 0.274 -0.113 0.00 0.00 +0.222 A ATOM 27 N LIG 1 -3.835 1.428 0.062 0.00 0.00 -0.221 NA ATOM 28 C LIG 1 -2.490 1.371 -0.067 0.00 0.00 +0.139 A BRANCH 26 29 ATOM 29 N LIG 1 -5.871 0.390 0.031 0.00 0.00 -0.250 N ATOM 30 H LIG 1 -6.154 1.324 0.273 0.00 0.00 +0.158 HD ATOM 31 C LIG 1 -6.783 -0.632 -0.035 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -6.551 -1.826 -0.175 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -8.204 -0.207 0.130 0.00 0.00 +0.037 A ATOM 34 C LIG 1 -9.091 -1.081 0.771 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -10.427 -0.720 0.947 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -10.885 0.509 0.474 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -10.011 1.376 -0.182 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.672 1.020 -0.360 0.00 0.00 +0.013 A ENDBRANCH 31 33 ENDBRANCH 26 29 ENDBRANCH 21 23 ENDBRANCH 11 21 TORSDOF 6