REMARK Name = BDB036343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.986 0.474 1.910 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.537 -0.284 3.015 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.680 -0.975 2.977 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.930 -1.672 4.208 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.075 -1.509 5.129 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.454 -0.924 1.789 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.054 -0.164 0.677 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -1.332 -0.531 4.530 0.00 0.00 -0.096 S ATOM 9 C LIG 1 -0.135 0.553 0.784 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.345 1.154 1.800 0.00 0.00 +0.121 C BRANCH 10 20 ATOM 11 C LIG 1 -4.053 -1.557 -0.277 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -5.274 -1.034 -0.839 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -4.985 -0.059 -1.752 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -4.404 1.156 -1.388 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -4.032 2.068 -2.330 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 -4.324 1.800 -3.623 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -4.947 0.639 -4.046 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -4.172 1.473 0.099 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -3.971 2.991 0.276 0.00 0.00 +0.031 C ATOM 20 N LIG 1 -3.093 0.613 0.649 0.00 0.00 -0.286 NA ATOM 21 C LIG 1 -5.281 -0.310 -3.088 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -3.611 -0.747 0.963 0.00 0.00 +0.130 C BRANCH 11 24 ATOM 23 C LIG 1 -5.420 -3.266 1.087 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -4.312 -3.037 0.066 0.00 0.00 +0.042 C ENDBRANCH 11 24 ENDBRANCH 10 20 ENDBRANCH 1 10 BRANCH 7 25 ATOM 25 C LIG 1 1.869 -0.226 -0.618 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 3.363 0.108 -0.431 0.00 0.00 -0.034 A ATOM 27 C LIG 1 3.842 1.309 0.159 0.00 0.00 -0.017 A ATOM 28 C LIG 1 2.940 2.366 0.732 0.00 0.00 +0.046 C ATOM 29 C LIG 1 5.246 1.472 0.239 0.00 0.00 +0.116 A ATOM 30 N LIG 1 5.968 2.515 0.766 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 7.256 2.243 0.626 0.00 0.00 -0.065 NA ATOM 32 N LIG 1 7.350 1.050 0.014 0.00 0.00 -0.247 N ATOM 33 C LIG 1 8.652 0.513 -0.276 0.00 0.00 +0.175 C ATOM 34 C LIG 1 6.117 0.504 -0.252 0.00 0.00 +0.092 A ATOM 35 C LIG 1 5.684 -0.688 -0.851 0.00 0.00 -0.023 A ATOM 36 C LIG 1 6.590 -1.752 -1.393 0.00 0.00 +0.046 C ATOM 37 C LIG 1 4.287 -0.846 -0.920 0.00 0.00 +0.010 A ENDBRANCH 25 26 BRANCH 25 38 ATOM 38 C LIG 1 1.334 0.534 -1.851 0.00 0.00 +0.133 C BRANCH 38 39 ATOM 39 C LIG 1 -0.017 0.037 -2.303 0.00 0.00 +0.306 C ATOM 40 O LIG 1 -0.406 -1.118 -2.329 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 -0.809 1.058 -2.688 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 -1.718 0.697 -2.783 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 25 38 ENDBRANCH 7 25 TORSDOF 8