REMARK Name = BDB051535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.191 0.589 4.019 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -2.006 0.326 2.654 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -0.712 0.323 2.133 0.00 0.00 +0.062 A ATOM 4 C LIG 1 0.414 0.559 2.963 0.00 0.00 +0.044 A ATOM 5 C LIG 1 0.221 0.790 4.330 0.00 0.00 +0.080 A ATOM 6 N LIG 1 1.232 0.999 5.177 0.00 0.00 -0.235 NA ATOM 7 C LIG 1 2.464 0.972 4.660 0.00 0.00 +0.223 A ATOM 8 N LIG 1 2.777 0.770 3.379 0.00 0.00 -0.220 NA ATOM 9 C LIG 1 1.754 0.578 2.526 0.00 0.00 +0.134 A ATOM 10 C LIG 1 -1.074 0.808 4.833 0.00 0.00 +0.078 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -3.716 0.846 5.843 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -3.490 0.601 4.462 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 9 13 ATOM 13 N LIG 1 2.026 0.390 1.147 0.00 0.00 -0.296 N ATOM 14 H LIG 1 1.482 1.046 0.587 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 3.276 0.202 0.514 0.00 0.00 +0.074 A ATOM 16 C LIG 1 3.436 0.647 -0.808 0.00 0.00 +0.139 A ATOM 17 C LIG 1 4.622 0.445 -1.519 0.00 0.00 +0.057 A ATOM 18 C LIG 1 5.696 -0.236 -0.923 0.00 0.00 +0.011 A ATOM 19 C LIG 1 5.524 -0.707 0.391 0.00 0.00 +0.012 A ATOM 20 C LIG 1 4.330 -0.500 1.096 0.00 0.00 +0.027 A BRANCH 18 21 ATOM 21 C LIG 1 6.985 -0.491 -1.604 0.00 0.00 +0.110 A ATOM 22 S LIG 1 7.320 0.101 -3.189 0.00 0.00 -0.067 S ATOM 23 C LIG 1 8.884 -0.608 -3.146 0.00 0.00 +0.040 A ATOM 24 C LIG 1 9.053 -1.253 -1.922 0.00 0.00 +0.079 A ATOM 25 C LIG 1 10.272 -1.911 -1.663 0.00 0.00 +0.029 A ATOM 26 C LIG 1 11.283 -1.907 -2.630 0.00 0.00 +0.002 A ATOM 27 C LIG 1 11.093 -1.257 -3.846 0.00 0.00 +0.001 A ATOM 28 C LIG 1 9.892 -0.597 -4.125 0.00 0.00 +0.017 A ATOM 29 N LIG 1 7.972 -1.178 -1.061 0.00 0.00 -0.239 NA ENDBRANCH 18 21 BRANCH 16 30 ATOM 30 O LIG 1 2.379 1.310 -1.387 0.00 0.00 -0.505 OA ATOM 31 H LIG 1 2.629 1.552 -2.294 0.00 0.00 +0.292 HD ENDBRANCH 16 30 ENDBRANCH 13 15 ENDBRANCH 9 13 BRANCH 2 32 ATOM 32 O LIG 1 -3.140 0.128 1.910 0.00 0.00 -0.488 OA BRANCH 32 33 ATOM 33 C LIG 1 -3.040 -0.587 0.676 0.00 0.00 +0.230 C BRANCH 33 34 ATOM 34 C LIG 1 -3.004 0.381 -0.508 0.00 0.00 +0.056 C BRANCH 34 35 ATOM 35 C LIG 1 -4.315 1.160 -0.683 0.00 0.00 +0.088 C BRANCH 35 36 ATOM 36 N LIG 1 -5.453 0.310 -1.050 0.00 0.00 -0.300 NA ATOM 37 C LIG 1 -6.731 1.021 -0.922 0.00 0.00 +0.100 C ATOM 38 C LIG 1 -7.959 0.113 -1.206 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -7.720 -0.988 -2.159 0.00 0.00 -0.303 NA ATOM 40 C LIG 1 -8.947 -1.396 -2.829 0.00 0.00 +0.105 C ATOM 41 C LIG 1 -6.661 -0.630 -3.106 0.00 0.00 +0.099 C ATOM 42 C LIG 1 -5.323 -0.287 -2.396 0.00 0.00 +0.100 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 10