REMARK Name = BDB058504 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.140 0.320 -0.676 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.084 -1.030 -0.912 0.00 0.00 +0.027 A ATOM 3 S LIG 1 1.347 -1.814 -1.454 0.00 0.00 -0.091 S ATOM 4 C LIG 1 2.272 -0.380 -1.367 0.00 0.00 +0.008 A ATOM 5 C LIG 1 1.498 0.686 -0.956 0.00 0.00 +0.022 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -2.900 3.037 0.694 0.00 0.00 -0.042 A ATOM 7 C LIG 1 -2.563 1.891 1.433 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -1.572 1.005 0.991 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -0.895 1.236 -0.208 0.00 0.00 -0.017 A ATOM 10 C LIG 1 -1.210 2.373 -0.952 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -2.199 3.258 -0.508 0.00 0.00 +0.005 A BRANCH 6 13 ATOM 12 C LIG 1 -5.103 4.096 0.082 0.00 0.00 +0.015 C ATOM 13 C LIG 1 -3.987 4.028 1.147 0.00 0.00 -0.013 C ATOM 14 C LIG 1 -3.369 5.431 1.326 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -4.657 3.650 2.488 0.00 0.00 +0.015 C ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 16 ATOM 16 C LIG 1 -1.317 -1.825 -0.805 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -2.460 -1.460 -1.520 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -3.642 -2.200 -1.403 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -3.723 -3.333 -0.572 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -2.566 -3.691 0.138 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -1.383 -2.949 0.024 0.00 0.00 +0.009 A BRANCH 19 22 ATOM 22 C LIG 1 -5.041 -4.121 -0.468 0.00 0.00 -0.013 C ATOM 23 C LIG 1 -6.157 -3.196 0.064 0.00 0.00 +0.015 C ATOM 24 C LIG 1 -5.441 -4.651 -1.861 0.00 0.00 +0.015 C ATOM 25 C LIG 1 -4.967 -5.339 0.480 0.00 0.00 +0.015 C ENDBRANCH 19 22 ENDBRANCH 2 16 BRANCH 4 26 ATOM 26 C LIG 1 3.729 -0.381 -1.736 0.00 0.00 +0.149 C BRANCH 26 27 ATOM 27 N LIG 1 4.538 -0.882 -0.628 0.00 0.00 -0.299 N ATOM 28 C LIG 1 4.957 -2.198 -0.651 0.00 0.00 +0.328 C ATOM 29 O LIG 1 4.827 -2.982 -1.582 0.00 0.00 -0.279 OA BRANCH 27 30 ATOM 30 C LIG 1 4.735 -0.052 0.559 0.00 0.00 +0.111 C BRANCH 30 31 ATOM 31 C LIG 1 6.128 0.589 0.705 0.00 0.00 +0.009 C ATOM 32 C LIG 1 6.477 1.581 -0.421 0.00 0.00 +0.020 C ATOM 33 C LIG 1 7.988 1.782 -0.593 0.00 0.00 +0.081 C ATOM 34 N LIG 1 8.683 1.662 0.680 0.00 0.00 -0.316 NA ATOM 35 H LIG 1 9.666 1.911 0.573 0.00 0.00 +0.122 HD ATOM 36 C LIG 1 8.581 0.310 1.237 0.00 0.00 +0.081 C ATOM 37 C LIG 1 7.273 -0.414 0.882 0.00 0.00 +0.020 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 8