REMARK Name = BDB010478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.402 -1.644 -0.571 0.00 0.00 +0.222 A ATOM 2 N LIG 1 1.352 -2.431 -0.791 0.00 0.00 -0.193 NA ATOM 3 C LIG 1 0.195 -1.778 -0.969 0.00 0.00 +0.186 A ATOM 4 N LIG 1 -0.991 -2.397 -1.236 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.867 -1.428 -1.348 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.272 -0.189 -1.196 0.00 0.00 -0.307 N ATOM 7 C LIG 1 0.059 -0.402 -0.919 0.00 0.00 +0.129 A ATOM 8 C LIG 1 1.182 0.371 -0.663 0.00 0.00 +0.150 A ATOM 9 N LIG 1 2.345 -0.300 -0.513 0.00 0.00 -0.197 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -3.194 -1.554 -1.646 0.00 0.00 -0.289 N ATOM 11 C LIG 1 -3.986 -2.483 -0.762 0.00 0.00 +0.132 C ATOM 12 C LIG 1 -4.028 -3.905 -1.373 0.00 0.00 +0.187 C ATOM 13 O LIG 1 -4.728 -3.943 -2.636 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 -4.678 -2.693 -3.340 0.00 0.00 +0.179 C ATOM 15 C LIG 1 -3.383 -1.907 -3.092 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 -3.630 -2.424 0.720 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -2.638 -3.240 1.286 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -2.339 -3.167 2.648 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -3.031 -2.281 3.470 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -4.020 -1.464 2.928 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.314 -1.531 1.564 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 24 ATOM 22 C LIG 1 5.863 -2.529 0.273 0.00 0.00 +0.130 C ATOM 23 C LIG 1 4.768 -1.464 0.086 0.00 0.00 +0.137 C ATOM 24 N LIG 1 3.630 -2.232 -0.404 0.00 0.00 -0.298 N ATOM 25 C LIG 1 3.756 -3.651 -0.134 0.00 0.00 +0.110 C ATOM 26 C LIG 1 5.038 -3.754 0.700 0.00 0.00 +0.049 C BRANCH 22 28 ATOM 27 C LIG 1 8.125 -3.520 1.622 0.00 0.00 +0.085 C ATOM 28 S LIG 1 7.087 -2.035 1.570 0.00 0.00 -0.145 S ENDBRANCH 22 28 BRANCH 22 29 ATOM 29 C LIG 1 6.595 -2.778 -1.043 0.00 0.00 +0.323 C ATOM 30 O LIG 1 6.821 -3.870 -1.546 0.00 0.00 -0.249 OA BRANCH 29 31 ATOM 31 O LIG 1 7.081 -1.666 -1.632 0.00 0.00 -0.480 OA ATOM 32 H LIG 1 7.530 -1.994 -2.439 0.00 0.00 +0.295 HD ENDBRANCH 29 31 ENDBRANCH 22 29 ENDBRANCH 1 24 BRANCH 8 33 ATOM 33 N LIG 1 1.157 1.758 -0.564 0.00 0.00 -0.324 N ATOM 34 H LIG 1 0.296 2.094 -0.157 0.00 0.00 +0.148 HD BRANCH 33 35 ATOM 35 C LIG 1 2.350 2.428 -0.040 0.00 0.00 +0.072 C ATOM 36 C LIG 1 2.393 2.314 1.486 0.00 0.00 +0.028 C BRANCH 35 37 ATOM 37 C LIG 1 2.283 3.909 -0.428 0.00 0.00 +0.009 C ATOM 38 C LIG 1 2.429 4.231 -1.943 0.00 0.00 +0.005 C ATOM 39 C LIG 1 3.203 5.497 -1.526 0.00 0.00 +0.001 C ATOM 40 C LIG 1 3.571 4.755 -0.226 0.00 0.00 +0.005 C ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 8 33 BRANCH 6 41 ATOM 41 C LIG 1 -1.932 1.078 -1.449 0.00 0.00 +0.128 C BRANCH 41 42 ATOM 42 C LIG 1 -2.910 1.540 -0.353 0.00 0.00 +0.009 C ATOM 43 C LIG 1 -3.674 2.785 -0.834 0.00 0.00 +0.005 C ATOM 44 C LIG 1 -4.659 3.292 0.218 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -3.964 3.574 1.555 0.00 0.00 -0.014 C ATOM 46 C LIG 1 -4.976 4.028 2.604 0.00 0.00 +0.007 C ATOM 47 C LIG 1 -3.201 2.335 2.039 0.00 0.00 +0.003 C ATOM 48 C LIG 1 -2.215 1.831 0.985 0.00 0.00 +0.005 C ENDBRANCH 41 42 ENDBRANCH 6 41 TORSDOF 11