REMARK Name = BDB038899 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.368 -1.389 -0.079 0.00 0.00 +0.096 A ATOM 2 C LIG 1 3.312 -0.393 0.194 0.00 0.00 +0.074 A ATOM 3 N LIG 1 3.148 0.948 0.473 0.00 0.00 -0.350 N ATOM 4 H LIG 1 2.259 1.430 0.508 0.00 0.00 +0.166 HD ATOM 5 C LIG 1 4.360 1.554 0.689 0.00 0.00 +0.083 A ATOM 6 C LIG 1 5.348 0.588 0.520 0.00 0.00 +0.010 A ATOM 7 C LIG 1 6.697 0.971 0.682 0.00 0.00 +0.011 A ATOM 8 C LIG 1 7.006 2.300 1.008 0.00 0.00 +0.004 A ATOM 9 C LIG 1 5.994 3.243 1.171 0.00 0.00 +0.040 A ATOM 10 C LIG 1 4.660 2.877 1.011 0.00 0.00 +0.147 A ATOM 11 F LIG 1 3.688 3.784 1.168 0.00 0.00 -0.203 F ATOM 12 C LIG 1 4.687 -0.640 0.197 0.00 0.00 +0.012 A ATOM 13 C LIG 1 5.139 -1.935 -0.092 0.00 0.00 +0.045 A ATOM 14 CA LIG 1 4.157 -2.871 -0.373 0.00 0.00 +0.149 A ATOM 15 N LIG 1 2.813 -2.637 -0.380 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 19 ATOM 16 C LIG 1 -1.861 -0.732 -0.097 0.00 0.00 +0.051 A ATOM 17 C LIG 1 -1.112 -0.411 1.034 0.00 0.00 +0.025 A ATOM 18 C LIG 1 0.268 -0.635 1.047 0.00 0.00 +0.012 A ATOM 19 C LIG 1 0.924 -1.168 -0.075 0.00 0.00 +0.003 A ATOM 20 C LIG 1 0.151 -1.487 -1.205 0.00 0.00 +0.012 A ATOM 21 C LIG 1 -1.228 -1.262 -1.222 0.00 0.00 +0.025 A BRANCH 16 23 ATOM 22 C LIG 1 -4.152 -1.589 -0.375 0.00 0.00 +0.157 C ATOM 23 N LIG 1 -3.270 -0.434 -0.080 0.00 0.00 -0.206 N BRANCH 23 24 ATOM 24 S LIG 1 -3.648 1.006 -0.948 0.00 0.00 +0.074 S ATOM 25 O LIG 1 -2.785 2.076 -0.490 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 -3.739 0.666 -2.354 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 -5.284 1.381 -0.363 0.00 0.00 +0.109 A ATOM 28 C LIG 1 -5.451 1.784 0.966 0.00 0.00 +0.029 A ATOM 29 C LIG 1 -6.730 2.082 1.435 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -7.828 1.984 0.579 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -7.654 1.591 -0.750 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -6.378 1.291 -1.228 0.00 0.00 +0.029 A ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 16 23 ENDBRANCH 1 19 BRANCH 14 33 ATOM 33 C LIG 1 4.544 -4.276 -0.698 0.00 0.00 +0.355 C ATOM 34 O LIG 1 5.686 -4.694 -0.756 0.00 0.00 -0.243 OA BRANCH 33 35 ATOM 35 OXT LIG 1 3.437 -5.028 -0.919 0.00 0.00 -0.476 OA ATOM 36 HXT LIG 1 2.642 -4.453 -0.804 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 14 33 TORSDOF 6