REMARK Name = BDB020668 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.011 -0.106 1.151 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -2.782 -1.321 0.347 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -4.019 -2.095 -0.037 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.503 -1.644 -0.009 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -0.461 -0.751 0.369 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.680 0.415 1.099 0.00 0.00 +0.048 A ATOM 7 C LIG 1 0.519 1.070 1.282 0.00 0.00 +0.036 A ATOM 8 C LIG 1 1.532 0.295 0.666 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.899 -0.801 0.113 0.00 0.00 +0.100 A ATOM 10 C LIG 1 -2.003 0.710 1.513 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.961 0.541 0.580 0.00 0.00 +0.002 A ATOM 12 C LIG 1 3.892 -0.489 0.551 0.00 0.00 +0.121 A ATOM 13 N LIG 1 5.238 -0.313 0.483 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 5.725 0.946 0.429 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.852 2.035 0.473 0.00 0.00 +0.044 A ATOM 16 C LIG 1 3.470 1.835 0.546 0.00 0.00 +0.013 A BRANCH 14 17 ATOM 17 N LIG 1 7.101 1.134 0.384 0.00 0.00 -0.313 N ATOM 18 C LIG 1 7.651 2.212 -0.454 0.00 0.00 +0.122 C ATOM 19 C LIG 1 8.854 1.730 -1.301 0.00 0.00 +0.103 C ATOM 20 N LIG 1 9.940 1.054 -0.559 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 10.989 1.984 -0.154 0.00 0.00 +0.105 C ATOM 22 C LIG 1 9.415 0.317 0.614 0.00 0.00 +0.103 C ATOM 23 C LIG 1 7.925 -0.081 0.499 0.00 0.00 +0.122 C ENDBRANCH 14 17 ENDBRANCH 8 11 BRANCH 1 26 ATOM 24 N LIG 1 -4.803 1.494 1.226 0.00 0.00 -0.307 N ATOM 25 H LIG 1 -4.172 2.091 0.703 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 -4.371 0.264 1.654 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -5.027 -0.497 2.355 0.00 0.00 -0.270 OA BRANCH 24 28 ATOM 28 C LIG 1 -6.035 2.084 1.696 0.00 0.00 +0.145 C BRANCH 28 35 ATOM 29 C LIG 1 -8.625 5.021 -2.603 0.00 0.00 +0.063 C ATOM 30 C LIG 1 -8.006 4.181 -1.530 0.00 0.00 +0.016 A ATOM 31 N LIG 1 -6.963 4.732 -0.826 0.00 0.00 -0.326 N ATOM 32 H LIG 1 -6.638 5.665 -1.047 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 -6.283 4.094 0.179 0.00 0.00 +0.254 A ATOM 34 O LIG 1 -5.332 4.627 0.745 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -6.746 2.713 0.536 0.00 0.00 +0.037 A ATOM 36 C LIG 1 -7.769 2.174 -0.166 0.00 0.00 -0.039 A ATOM 37 C LIG 1 -8.331 0.795 0.048 0.00 0.00 +0.044 C ATOM 38 C LIG 1 -8.409 2.937 -1.229 0.00 0.00 +0.024 A ENDBRANCH 28 35 ENDBRANCH 24 28 ENDBRANCH 1 26 BRANCH 4 39 ATOM 39 C LIG 1 -1.158 -2.921 -0.796 0.00 0.00 +0.101 C ATOM 40 C LIG 1 -0.901 -2.528 -2.265 0.00 0.00 +0.031 C BRANCH 39 41 ATOM 41 N LIG 1 -0.070 -3.726 -0.194 0.00 0.00 -0.290 NA ATOM 42 C LIG 1 -0.380 -4.213 1.172 0.00 0.00 +0.113 C ATOM 43 C LIG 1 -0.754 -5.703 1.227 0.00 0.00 +0.175 C ATOM 44 O LIG 1 0.268 -6.567 0.713 0.00 0.00 -0.377 OA ATOM 45 C LIG 1 1.114 -5.926 -0.249 0.00 0.00 +0.175 C ATOM 46 C LIG 1 0.372 -4.847 -1.051 0.00 0.00 +0.113 C ENDBRANCH 39 41 ENDBRANCH 4 39 TORSDOF 7