REMARK Name = BDB019372 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.148 0.195 -0.952 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.110 0.673 0.043 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -1.961 -0.219 0.656 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -1.961 -1.415 0.336 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -1.217 2.127 0.015 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -0.682 2.496 -1.370 0.00 0.00 +0.134 C ATOM 7 C LIG 1 0.405 1.461 -1.616 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 1.740 -1.336 -1.216 0.00 0.00 -0.310 N ATOM 9 H LIG 1 1.527 -1.268 -2.201 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 1.013 -0.589 -0.310 0.00 0.00 +0.234 C ATOM 11 O LIG 1 1.310 -0.501 0.879 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 2.958 -2.014 -0.839 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 6.362 0.411 -1.968 0.00 0.00 -0.010 A ATOM 14 C LIG 1 5.697 0.634 -0.756 0.00 0.00 +0.009 A ATOM 15 C LIG 1 4.603 -0.155 -0.391 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.159 -1.189 -1.226 0.00 0.00 -0.030 A ATOM 17 C LIG 1 4.820 -1.409 -2.441 0.00 0.00 +0.006 A ATOM 18 C LIG 1 5.914 -0.619 -2.806 0.00 0.00 +0.009 A BRANCH 13 21 ATOM 19 C LIG 1 9.169 0.800 -0.415 0.00 0.00 +0.067 C ATOM 20 C LIG 1 8.722 1.433 -1.686 0.00 0.00 +0.053 A ATOM 21 C LIG 1 7.511 1.235 -2.337 0.00 0.00 +0.042 A ATOM 22 S LIG 1 7.472 2.179 -3.775 0.00 0.00 -0.075 S ATOM 23 C LIG 1 9.038 2.768 -3.417 0.00 0.00 +0.156 A ATOM 24 N LIG 1 9.589 2.317 -2.314 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 -1.689 2.359 -2.374 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 -2.364 1.730 -2.054 0.00 0.00 +0.210 HD ENDBRANCH 6 25 BRANCH 3 27 ATOM 27 C LIG 1 -2.908 0.295 1.772 0.00 0.00 +0.165 C BRANCH 27 28 ATOM 28 C LIG 1 -2.341 0.098 3.212 0.00 0.00 -0.011 C ATOM 29 C LIG 1 -1.942 -1.361 3.505 0.00 0.00 +0.013 C ATOM 30 C LIG 1 -1.104 0.992 3.424 0.00 0.00 +0.013 C ATOM 31 C LIG 1 -3.406 0.525 4.245 0.00 0.00 +0.013 C ENDBRANCH 27 28 BRANCH 27 32 ATOM 32 N LIG 1 -4.164 -0.430 1.557 0.00 0.00 -0.300 N ATOM 33 H LIG 1 -4.130 -1.423 1.737 0.00 0.00 +0.150 HD ATOM 34 C LIG 1 -5.076 0.038 0.633 0.00 0.00 +0.245 C ATOM 35 O LIG 1 -5.034 1.165 0.153 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -6.149 -0.905 0.223 0.00 0.00 +0.037 A ATOM 37 C LIG 1 -7.416 -0.382 -0.064 0.00 0.00 +0.014 A ATOM 38 C LIG 1 -8.453 -1.230 -0.463 0.00 0.00 +0.019 A ATOM 39 C LIG 1 -8.226 -2.604 -0.589 0.00 0.00 +0.052 A ATOM 40 C LIG 1 -6.955 -3.125 -0.322 0.00 0.00 +0.019 A ATOM 41 C LIG 1 -5.915 -2.279 0.079 0.00 0.00 +0.014 A BRANCH 39 42 ATOM 42 C LIG 1 -9.289 -3.475 -1.000 0.00 0.00 +0.099 C ATOM 43 N LIG 1 -10.148 -4.183 -1.330 0.00 0.00 -0.191 NA ENDBRANCH 39 42 ENDBRANCH 34 36 ENDBRANCH 27 32 ENDBRANCH 3 27 TORSDOF 10