REMARK Name = BDB037266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.340 -1.752 -1.225 0.00 0.00 +0.274 C ATOM 2 N LIG 1 1.949 -1.152 -0.160 0.00 0.00 -0.219 N ATOM 3 H LIG 1 1.423 -0.496 0.395 0.00 0.00 +0.166 HD ATOM 4 O LIG 1 1.875 -2.514 -2.020 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -1.930 -0.341 -0.407 0.00 0.00 +0.220 A ATOM 6 C LIG 1 -2.781 -0.804 -1.410 0.00 0.00 +0.035 A ATOM 7 C LIG 1 -2.220 -1.593 -2.424 0.00 0.00 +0.013 A ATOM 8 C LIG 1 -0.867 -1.913 -2.385 0.00 0.00 +0.033 A ATOM 9 C LIG 1 -0.113 -1.417 -1.332 0.00 0.00 +0.130 A ATOM 10 N LIG 1 -0.612 -0.628 -0.341 0.00 0.00 -0.208 NA BRANCH 5 12 ATOM 11 C LIG 1 -1.537 1.042 1.447 0.00 0.00 +0.279 C ATOM 12 O LIG 1 -2.498 0.419 0.597 0.00 0.00 -0.479 OA ENDBRANCH 5 12 BRANCH 6 13 ATOM 13 C LIG 1 -4.241 -0.444 -1.442 0.00 0.00 +0.184 C BRANCH 13 14 ATOM 14 N LIG 1 -4.450 0.885 -2.000 0.00 0.00 -0.267 N ATOM 15 N LIG 1 -4.467 1.062 -3.338 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 -4.688 2.372 -3.481 0.00 0.00 +0.134 A ATOM 17 C LIG 1 -4.841 3.028 -2.246 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -4.697 2.037 -1.304 0.00 0.00 +0.108 A ENDBRANCH 13 14 ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 S LIG 1 3.603 -1.215 0.052 0.00 0.00 +0.159 S ATOM 20 O LIG 1 4.125 -0.397 -1.020 0.00 0.00 -0.223 OA ATOM 21 N LIG 1 3.860 -2.705 0.296 0.00 0.00 -0.232 NA ATOM 22 H LIG 1 3.571 -3.224 -0.542 0.00 0.00 +0.199 HD BRANCH 19 23 ATOM 23 C LIG 1 4.045 -0.404 1.538 0.00 0.00 +0.135 A ATOM 24 C LIG 1 3.101 0.226 2.334 0.00 0.00 +0.144 A ATOM 25 F LIG 1 1.810 0.278 1.980 0.00 0.00 -0.204 F ATOM 26 C LIG 1 3.478 0.835 3.530 0.00 0.00 +0.040 A ATOM 27 C LIG 1 4.813 0.808 3.934 0.00 0.00 +0.006 A ATOM 28 C LIG 1 5.765 0.186 3.128 0.00 0.00 +0.040 A ATOM 29 C LIG 1 5.378 -0.410 1.929 0.00 0.00 +0.144 A ATOM 30 F LIG 1 6.323 -0.984 1.172 0.00 0.00 -0.204 F ENDBRANCH 19 23 ENDBRANCH 2 19 TORSDOF 6