REMARK Name = BDB033748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.471 -2.258 1.530 0.00 0.00 +0.110 A ATOM 2 C LIG 1 -1.844 -1.182 0.920 0.00 0.00 +0.144 A ATOM 3 N LIG 1 -0.520 -1.216 0.652 0.00 0.00 -0.198 NA ATOM 4 C LIG 1 0.195 -2.297 0.999 0.00 0.00 +0.221 A ATOM 5 N LIG 1 -0.346 -3.371 1.592 0.00 0.00 -0.221 NA ATOM 6 C LIG 1 -1.669 -3.329 1.843 0.00 0.00 +0.136 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -2.582 -0.039 0.551 0.00 0.00 -0.314 N ATOM 8 C LIG 1 -2.043 0.674 -0.623 0.00 0.00 +0.109 C ATOM 9 C LIG 1 -2.758 2.013 -0.828 0.00 0.00 +0.050 C ATOM 10 C LIG 1 -4.141 2.015 -0.190 0.00 0.00 +0.118 C ATOM 11 C LIG 1 -4.063 1.738 1.314 0.00 0.00 +0.050 C ATOM 12 C LIG 1 -2.877 0.847 1.685 0.00 0.00 +0.109 C BRANCH 10 13 ATOM 13 O LIG 1 -4.757 3.280 -0.415 0.00 0.00 -0.392 OA ATOM 14 H LIG 1 -5.665 3.225 -0.069 0.00 0.00 +0.210 HD ENDBRANCH 10 13 ENDBRANCH 2 7 BRANCH 1 16 ATOM 15 N LIG 1 -5.001 -2.371 2.052 0.00 0.00 -0.191 NA ATOM 16 C LIG 1 -3.869 -2.307 1.800 0.00 0.00 +0.104 C ENDBRANCH 1 16 BRANCH 4 17 ATOM 17 N LIG 1 1.560 -2.395 0.747 0.00 0.00 -0.284 N ATOM 18 H LIG 1 1.888 -3.293 1.074 0.00 0.00 +0.155 HD BRANCH 17 19 ATOM 19 C LIG 1 2.531 -1.493 0.301 0.00 0.00 +0.034 A ATOM 20 C LIG 1 2.282 -0.136 0.061 0.00 0.00 +0.025 A ATOM 21 C LIG 1 3.284 0.714 -0.421 0.00 0.00 +0.030 A ATOM 22 C LIG 1 4.552 0.201 -0.687 0.00 0.00 +0.105 A ATOM 23 C LIG 1 4.831 -1.145 -0.458 0.00 0.00 +0.030 A ATOM 24 C LIG 1 3.821 -1.982 0.025 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 S LIG 1 5.831 1.266 -1.295 0.00 0.00 +0.056 S ATOM 26 O LIG 1 7.106 0.731 -0.884 0.00 0.00 -0.153 OA ATOM 27 O LIG 1 5.445 2.636 -1.047 0.00 0.00 -0.153 OA BRANCH 25 28 ATOM 28 N LIG 1 5.686 1.048 -2.959 0.00 0.00 -0.204 NA ATOM 29 H LIG 1 5.053 0.289 -3.212 0.00 0.00 +0.144 HD ATOM 30 H LIG 1 5.408 1.934 -3.384 0.00 0.00 +0.144 HD ENDBRANCH 25 28 ENDBRANCH 22 25 ENDBRANCH 17 19 ENDBRANCH 4 17 TORSDOF 7