REMARK Name = BDB010837 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.914 -2.289 -0.364 0.00 0.00 +0.139 A ATOM 2 N LIG 1 -0.066 -1.210 -0.592 0.00 0.00 -0.320 N ATOM 3 C LIG 1 1.066 -1.397 0.188 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.835 -2.605 0.826 0.00 0.00 +0.184 A ATOM 5 N LIG 1 1.696 -3.205 1.662 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.829 -2.506 1.800 0.00 0.00 +0.203 A ATOM 7 N LIG 1 3.147 -1.328 1.234 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 2.262 -0.716 0.422 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.381 -3.120 0.510 0.00 0.00 -0.208 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 3.839 -3.113 2.695 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.580 -4.301 3.267 0.00 0.00 -0.269 N ATOM 12 H LIG 1 2.748 -4.858 3.160 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.647 -4.616 4.011 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.784 -5.628 4.679 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.570 -3.605 3.897 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.996 -2.630 3.017 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 -2.265 -2.598 -2.294 0.00 0.00 +0.016 C ATOM 18 C LIG 1 -2.216 -2.427 -0.959 0.00 0.00 -0.009 C BRANCH 18 19 ATOM 19 C LIG 1 -3.461 -2.609 -0.074 0.00 0.00 +0.026 C ATOM 20 C LIG 1 -4.112 -1.264 0.288 0.00 0.00 +0.036 C ATOM 21 C LIG 1 -5.540 -1.436 0.805 0.00 0.00 +0.160 C ATOM 22 O LIG 1 -5.709 -2.718 1.401 0.00 0.00 -0.380 OA ATOM 23 C LIG 1 -5.624 -3.784 0.450 0.00 0.00 +0.160 C ATOM 24 C LIG 1 -4.544 -3.559 -0.610 0.00 0.00 +0.036 C ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 8 25 ATOM 25 N LIG 1 2.571 0.519 -0.132 0.00 0.00 -0.324 N ATOM 26 H LIG 1 1.775 1.140 -0.177 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.799 1.192 0.308 0.00 0.00 +0.072 C ATOM 28 C LIG 1 3.569 1.884 1.653 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 4.172 2.247 -0.739 0.00 0.00 +0.009 C ATOM 30 C LIG 1 4.621 1.712 -2.129 0.00 0.00 +0.005 C ATOM 31 C LIG 1 5.620 2.885 -2.176 0.00 0.00 +0.001 C ATOM 32 C LIG 1 5.589 2.878 -0.634 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 -0.276 -0.110 -1.518 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 -1.310 0.944 -1.083 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -1.312 2.112 -2.084 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -2.349 3.172 -1.718 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -2.158 3.684 -0.285 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -3.245 4.695 0.075 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -2.150 2.520 0.714 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -1.101 1.470 0.345 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 8