REMARK Name = BDB037234 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.632 -0.624 0.629 0.00 0.00 +0.256 C ATOM 2 N LIG 1 0.420 -1.476 -0.410 0.00 0.00 -0.221 N ATOM 3 H LIG 1 1.105 -1.727 -1.098 0.00 0.00 +0.166 HD ATOM 4 O LIG 1 -0.184 -0.335 1.495 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.953 0.910 -0.411 0.00 0.00 +0.126 A ATOM 6 C LIG 1 4.529 1.159 0.849 0.00 0.00 +0.016 A ATOM 7 C LIG 1 3.821 0.812 2.014 0.00 0.00 +0.010 A ATOM 8 C LIG 1 2.555 0.236 1.931 0.00 0.00 +0.013 A ATOM 9 C LIG 1 1.988 -0.017 0.681 0.00 0.00 +0.041 A ATOM 10 C LIG 1 2.680 0.332 -0.489 0.00 0.00 +0.059 A BRANCH 5 12 ATOM 11 C LIG 1 4.207 0.955 -2.788 0.00 0.00 +0.277 C ATOM 12 O LIG 1 4.706 1.278 -1.495 0.00 0.00 -0.495 OA ENDBRANCH 5 12 BRANCH 6 13 ATOM 13 C LIG 1 5.906 1.769 0.984 0.00 0.00 +0.182 C BRANCH 13 14 ATOM 14 N LIG 1 6.920 0.744 1.186 0.00 0.00 -0.267 N ATOM 15 N LIG 1 7.354 0.456 2.433 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 8.274 -0.492 2.236 0.00 0.00 +0.134 A ATOM 17 C LIG 1 8.446 -0.800 0.875 0.00 0.00 +0.041 A ATOM 18 C LIG 1 7.563 0.023 0.217 0.00 0.00 +0.108 A ENDBRANCH 13 14 ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 S LIG 1 -1.079 -2.122 -0.739 0.00 0.00 +0.157 S ATOM 20 O LIG 1 -1.301 -3.081 0.321 0.00 0.00 -0.223 OA ATOM 21 N LIG 1 -0.910 -2.525 -2.213 0.00 0.00 -0.232 NA ATOM 22 H LIG 1 -1.785 -2.913 -2.569 0.00 0.00 +0.199 HD BRANCH 19 23 ATOM 23 C LIG 1 -2.357 -0.896 -0.673 0.00 0.00 +0.107 A ATOM 24 C LIG 1 -2.168 0.381 -1.210 0.00 0.00 +0.138 A ATOM 25 C LIG 1 -3.227 1.286 -1.120 0.00 0.00 +0.047 A ATOM 26 C LIG 1 -4.435 0.932 -0.499 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -4.633 -0.339 0.057 0.00 0.00 -0.038 A ATOM 28 C LIG 1 -3.566 -1.250 -0.048 0.00 0.00 +0.027 A BRANCH 27 29 ATOM 29 C LIG 1 -5.939 -0.750 0.766 0.00 0.00 +0.013 C ATOM 30 C LIG 1 -6.543 -1.980 0.052 0.00 0.00 +0.018 C ATOM 31 C LIG 1 -5.614 -1.132 2.230 0.00 0.00 +0.018 C BRANCH 29 32 ATOM 32 C LIG 1 -7.023 0.368 0.839 0.00 0.00 +0.166 C BRANCH 32 33 ATOM 33 O LIG 1 -7.539 0.743 -0.436 0.00 0.00 -0.394 OA ATOM 34 H LIG 1 -8.042 -0.011 -0.788 0.00 0.00 +0.209 HD ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 27 29 BRANCH 24 35 ATOM 35 O LIG 1 -0.969 0.658 -1.808 0.00 0.00 -0.494 OA ATOM 36 C LIG 1 -0.732 2.002 -2.211 0.00 0.00 +0.277 C ENDBRANCH 24 35 ENDBRANCH 19 23 ENDBRANCH 2 19 TORSDOF 10