REMARK Name = BDB019385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.619 -2.074 0.970 0.00 0.00 +0.164 C ATOM 2 N LIG 1 0.004 -1.991 -0.371 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -1.334 -1.903 -0.691 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -1.698 -1.888 -1.875 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 0.970 -2.363 -1.395 0.00 0.00 +0.140 C ATOM 6 C LIG 1 1.967 -3.247 -0.651 0.00 0.00 +0.134 C ATOM 7 C LIG 1 2.048 -2.589 0.716 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 0.749 0.372 0.879 0.00 0.00 -0.310 N ATOM 9 H LIG 1 0.426 0.253 -0.072 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.732 -0.726 1.704 0.00 0.00 +0.234 C ATOM 11 O LIG 1 0.943 -0.673 2.912 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 0.866 1.718 1.387 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 4.585 3.449 0.007 0.00 0.00 -0.010 A ATOM 14 C LIG 1 4.540 2.698 1.189 0.00 0.00 +0.009 A ATOM 15 C LIG 1 3.338 2.141 1.633 0.00 0.00 +0.006 A ATOM 16 C LIG 1 2.154 2.338 0.910 0.00 0.00 -0.030 A ATOM 17 C LIG 1 2.198 3.078 -0.278 0.00 0.00 +0.006 A ATOM 18 C LIG 1 3.403 3.630 -0.724 0.00 0.00 +0.009 A BRANCH 13 21 ATOM 19 C LIG 1 7.397 1.958 -0.589 0.00 0.00 +0.067 C ATOM 20 C LIG 1 7.075 3.405 -0.709 0.00 0.00 +0.053 A ATOM 21 C LIG 1 5.853 4.016 -0.456 0.00 0.00 +0.042 A ATOM 22 S LIG 1 5.990 5.708 -0.744 0.00 0.00 -0.075 S ATOM 23 C LIG 1 7.633 5.493 -1.167 0.00 0.00 +0.156 A ATOM 24 N LIG 1 8.089 4.262 -1.117 0.00 0.00 -0.252 NA ENDBRANCH 13 21 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 O LIG 1 1.458 -4.571 -0.487 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 1.278 -4.932 -1.373 0.00 0.00 +0.210 HD ENDBRANCH 6 25 BRANCH 3 27 ATOM 27 C LIG 1 -2.397 -1.819 0.433 0.00 0.00 +0.162 C BRANCH 27 28 ATOM 28 C LIG 1 -3.179 -3.153 0.549 0.00 0.00 +0.018 C ATOM 29 C LIG 1 -4.327 -3.057 1.568 0.00 0.00 +0.006 C ATOM 30 C LIG 1 -5.208 -4.311 1.574 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -4.519 -5.550 1.007 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -3.047 -5.590 1.383 0.00 0.00 +0.000 C ATOM 33 C LIG 1 -2.279 -4.347 0.918 0.00 0.00 +0.006 C ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 N LIG 1 -3.311 -0.761 -0.021 0.00 0.00 -0.304 N ATOM 35 H LIG 1 -3.748 -0.939 -0.919 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 -3.093 0.559 0.298 0.00 0.00 +0.214 C ATOM 37 O LIG 1 -2.258 0.920 1.118 0.00 0.00 -0.276 OA BRANCH 36 38 ATOM 38 C LIG 1 -4.018 1.513 -0.435 0.00 0.00 +0.096 C BRANCH 38 39 ATOM 39 C LIG 1 -3.508 2.956 -0.441 0.00 0.00 +0.012 C BRANCH 39 40 ATOM 40 C LIG 1 -2.231 3.179 -1.278 0.00 0.00 -0.017 C ATOM 41 C LIG 1 -1.707 4.600 -1.049 0.00 0.00 +0.007 C ATOM 42 C LIG 1 -2.465 2.953 -2.771 0.00 0.00 +0.007 C ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 27 34 ENDBRANCH 3 27 TORSDOF 11