REMARK Name = BDB050489 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.162 -1.899 1.401 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.519 -2.286 0.244 0.00 0.00 +0.025 A ATOM 3 C LIG 1 1.916 -2.279 0.208 0.00 0.00 +0.030 A ATOM 4 C LIG 1 2.637 -1.880 1.339 0.00 0.00 +0.109 A ATOM 5 C LIG 1 1.971 -1.508 2.508 0.00 0.00 +0.030 A ATOM 6 C LIG 1 0.574 -1.504 2.529 0.00 0.00 +0.025 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.501 -2.344 0.606 0.00 0.00 +0.237 C ATOM 8 N LIG 1 -1.566 -1.871 1.511 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -1.934 -1.472 2.384 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -2.270 -2.922 -0.451 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 -3.940 -2.113 1.074 0.00 0.00 +0.221 C BRANCH 11 16 ATOM 12 C LIG 1 -4.221 2.312 3.393 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.436 1.517 2.135 0.00 0.00 +0.103 A ATOM 14 C LIG 1 -3.996 0.064 2.167 0.00 0.00 +0.273 A ATOM 15 O LIG 1 -3.386 -0.354 3.148 0.00 0.00 -0.266 OA ATOM 16 N LIG 1 -4.287 -0.698 1.044 0.00 0.00 -0.296 N ATOM 17 C LIG 1 -4.818 -0.074 -0.119 0.00 0.00 +0.071 A ATOM 18 C LIG 1 -5.150 1.296 -0.056 0.00 0.00 +0.088 A ATOM 19 C LIG 1 -5.686 1.932 -1.178 0.00 0.00 +0.030 A ATOM 20 C LIG 1 -5.888 1.233 -2.365 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.546 -0.113 -2.437 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -5.013 -0.765 -1.322 0.00 0.00 +0.028 A ATOM 23 N LIG 1 -4.972 2.078 1.095 0.00 0.00 -0.245 NA ENDBRANCH 11 16 ENDBRANCH 7 11 ENDBRANCH 1 8 BRANCH 4 24 ATOM 24 S LIG 1 4.409 -1.914 1.296 0.00 0.00 +0.074 S ATOM 25 O LIG 1 4.793 -2.998 0.411 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 4.915 -1.852 2.644 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 N LIG 1 4.787 -0.529 0.465 0.00 0.00 -0.197 N ATOM 28 H LIG 1 5.255 -0.765 -0.407 0.00 0.00 +0.176 HD BRANCH 27 29 ATOM 29 C LIG 1 4.704 0.819 0.827 0.00 0.00 +0.154 C ATOM 30 S LIG 1 4.290 1.425 2.328 0.00 0.00 -0.017 S BRANCH 29 31 ATOM 31 N LIG 1 5.077 1.739 -0.120 0.00 0.00 -0.296 N ATOM 32 H LIG 1 5.281 2.649 0.268 0.00 0.00 +0.154 HD BRANCH 31 33 ATOM 33 C LIG 1 5.130 1.652 -1.520 0.00 0.00 +0.033 A ATOM 34 C LIG 1 4.434 0.696 -2.262 0.00 0.00 +0.023 A ATOM 35 C LIG 1 4.541 0.674 -3.653 0.00 0.00 +0.002 A ATOM 36 C LIG 1 5.320 1.625 -4.313 0.00 0.00 +0.000 A ATOM 37 C LIG 1 5.986 2.606 -3.583 0.00 0.00 +0.002 A ATOM 38 C LIG 1 5.880 2.625 -2.195 0.00 0.00 +0.023 A ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 24 27 ENDBRANCH 4 24 TORSDOF 8