REMARK Name = BDB060146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.743 -0.537 0.515 0.00 0.00 -0.325 N ATOM 2 C LIG 1 1.605 -1.349 0.741 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.577 -2.582 1.375 0.00 0.00 +0.023 A ATOM 4 C LIG 1 0.358 -3.245 1.513 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.821 -2.661 1.035 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.816 -1.391 0.438 0.00 0.00 +0.057 A ATOM 7 C LIG 1 0.412 -0.759 0.278 0.00 0.00 -0.002 A ATOM 8 C LIG 1 0.753 0.571 -0.309 0.00 0.00 +0.058 C ATOM 9 C LIG 1 2.267 0.426 -0.497 0.00 0.00 +0.110 C ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 4.014 -1.215 0.264 0.00 0.00 +0.140 C BRANCH 10 14 ATOM 11 C LIG 1 7.806 0.733 -2.446 0.00 0.00 +0.044 C ATOM 12 C LIG 1 6.973 0.723 -1.199 0.00 0.00 -0.050 A ATOM 13 C LIG 1 5.914 -0.184 -1.063 0.00 0.00 +0.008 A ATOM 14 C LIG 1 5.151 -0.226 0.113 0.00 0.00 -0.030 A ATOM 15 C LIG 1 5.469 0.652 1.162 0.00 0.00 +0.008 A ATOM 16 C LIG 1 6.523 1.565 1.042 0.00 0.00 -0.050 A ATOM 17 C LIG 1 6.870 2.473 2.184 0.00 0.00 +0.044 C ATOM 18 C LIG 1 7.281 1.580 -0.135 0.00 0.00 +0.006 A ENDBRANCH 10 14 ENDBRANCH 1 10 BRANCH 6 19 ATOM 19 N LIG 1 -2.079 -0.921 -0.077 0.00 0.00 -0.192 N BRANCH 19 20 ATOM 20 S LIG 1 -2.523 0.699 0.206 0.00 0.00 +0.076 S ATOM 21 O LIG 1 -2.042 1.130 1.502 0.00 0.00 -0.150 OA ATOM 22 O LIG 1 -2.176 1.448 -0.983 0.00 0.00 -0.150 OA BRANCH 20 23 ATOM 23 C LIG 1 -4.329 0.584 0.341 0.00 0.00 +0.115 A ATOM 24 C LIG 1 -5.182 1.210 -0.602 0.00 0.00 -0.023 A ATOM 25 C LIG 1 -4.713 2.073 -1.742 0.00 0.00 +0.046 C ATOM 26 C LIG 1 -6.575 1.044 -0.473 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -7.134 0.296 0.565 0.00 0.00 -0.050 A ATOM 28 C LIG 1 -8.623 0.173 0.699 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -6.287 -0.269 1.517 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -4.888 -0.141 1.427 0.00 0.00 -0.023 A ATOM 31 C LIG 1 -4.076 -0.755 2.538 0.00 0.00 +0.046 C ENDBRANCH 20 23 ENDBRANCH 19 20 BRANCH 19 32 ATOM 32 C LIG 1 -2.527 -1.515 -1.361 0.00 0.00 +0.251 C BRANCH 32 33 ATOM 33 C LIG 1 -1.852 -0.993 -2.606 0.00 0.00 +0.324 C ATOM 34 O LIG 1 -0.656 -0.989 -2.854 0.00 0.00 -0.249 OA BRANCH 33 35 ATOM 35 O LIG 1 -2.728 -0.538 -3.527 0.00 0.00 -0.479 OA ATOM 36 H LIG 1 -2.151 -0.183 -4.237 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 19 32 ENDBRANCH 6 19 TORSDOF 8