REMARK Name = BDB039540 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.986 3.450 1.661 0.00 0.00 +0.044 C ATOM 2 C LIG 1 2.853 2.265 0.755 0.00 0.00 -0.038 A ATOM 3 C LIG 1 3.907 1.366 0.565 0.00 0.00 +0.048 A ATOM 4 C LIG 1 5.258 1.351 1.154 0.00 0.00 +0.248 C ATOM 5 N LIG 1 5.925 0.262 0.613 0.00 0.00 -0.281 N ATOM 6 C LIG 1 5.075 -0.532 -0.265 0.00 0.00 +0.148 C ATOM 7 O LIG 1 5.681 2.131 1.984 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.809 0.245 -0.261 0.00 0.00 +0.024 A ATOM 9 C LIG 1 2.634 0.022 -0.922 0.00 0.00 +0.130 A ATOM 10 O LIG 1 2.383 -1.030 -1.756 0.00 0.00 -0.490 OA ATOM 11 C LIG 1 1.181 -0.612 -2.446 0.00 0.00 +0.240 C ATOM 12 C LIG 1 0.387 0.357 -1.534 0.00 0.00 +0.036 C ATOM 13 C LIG 1 -0.567 -0.406 -0.591 0.00 0.00 +0.030 C ATOM 14 C LIG 1 -1.957 -0.529 -1.215 0.00 0.00 +0.086 C ATOM 15 N LIG 1 -2.593 0.783 -1.415 0.00 0.00 -0.298 NA ATOM 16 C LIG 1 -1.644 1.869 -1.696 0.00 0.00 +0.086 C ATOM 17 C LIG 1 -0.363 1.398 -2.384 0.00 0.00 +0.030 C ATOM 18 C LIG 1 1.557 0.886 -0.757 0.00 0.00 +0.004 A ATOM 19 C LIG 1 1.650 2.005 0.075 0.00 0.00 +0.012 A ENDROOT BRANCH 5 20 ATOM 20 C LIG 1 7.225 -0.183 1.107 0.00 0.00 +0.163 C ATOM 21 C LIG 1 8.115 -0.863 0.054 0.00 0.00 +0.240 C ATOM 22 O LIG 1 7.983 -0.724 -1.160 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 9.144 -1.634 0.547 0.00 0.00 -0.255 N ATOM 24 H LIG 1 9.729 -2.077 -0.148 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 9.315 -2.076 1.835 0.00 0.00 +0.219 C ATOM 26 O LIG 1 10.176 -2.907 2.108 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 8.423 -1.459 2.884 0.00 0.00 +0.098 C ATOM 28 C LIG 1 7.059 -1.110 2.312 0.00 0.00 +0.041 C ENDBRANCH 5 20 BRANCH 15 29 ATOM 29 C LIG 1 -3.675 0.726 -2.412 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 C LIG 1 -4.815 -0.189 -2.015 0.00 0.00 -0.033 A ATOM 31 C LIG 1 -5.520 0.035 -0.819 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -6.585 -0.792 -0.437 0.00 0.00 -0.015 A ATOM 33 C LIG 1 -6.942 -1.857 -1.274 0.00 0.00 +0.008 A ATOM 34 C LIG 1 -6.252 -2.087 -2.467 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.195 -1.257 -2.837 0.00 0.00 +0.005 A BRANCH 32 36 ATOM 36 C LIG 1 -7.287 -0.546 0.812 0.00 0.00 +0.020 A ATOM 37 C LIG 1 -8.605 -0.866 1.068 0.00 0.00 +0.116 A ATOM 38 N LIG 1 -8.862 -0.452 2.343 0.00 0.00 -0.274 N ATOM 39 C LIG 1 -10.109 -0.566 3.059 0.00 0.00 +0.172 C ATOM 40 N LIG 1 -7.805 0.120 2.945 0.00 0.00 -0.179 NA ATOM 41 C LIG 1 -6.849 0.064 2.013 0.00 0.00 +0.142 A ENDBRANCH 32 36 ENDBRANCH 29 30 ENDBRANCH 15 29 TORSDOF 4