REMARK Name = BDB022102 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.290 -1.252 0.931 0.00 0.00 +0.078 A ATOM 2 C LIG 1 1.013 -0.817 -0.172 0.00 0.00 +0.057 A ATOM 3 C LIG 1 0.579 -0.676 -1.587 0.00 0.00 +0.066 C ATOM 4 N LIG 1 2.297 -0.518 0.288 0.00 0.00 -0.202 N ATOM 5 N LIG 1 2.415 -0.798 1.624 0.00 0.00 -0.171 NA ATOM 6 C LIG 1 1.221 -1.262 1.981 0.00 0.00 +0.148 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.418 0.020 -0.451 0.00 0.00 +0.252 A ATOM 8 N LIG 1 4.575 0.216 0.217 0.00 0.00 -0.210 NA ATOM 9 C LIG 1 5.624 0.722 -0.465 0.00 0.00 +0.083 A ATOM 10 C LIG 1 5.540 1.038 -1.805 0.00 0.00 +0.049 A ATOM 11 C LIG 1 4.324 0.811 -2.404 0.00 0.00 +0.117 A ATOM 12 N LIG 1 3.256 0.310 -1.760 0.00 0.00 -0.219 NA BRANCH 9 13 ATOM 13 C LIG 1 6.837 0.893 0.357 0.00 0.00 +0.038 A ATOM 14 S LIG 1 8.293 1.548 -0.283 0.00 0.00 -0.095 S ATOM 15 C LIG 1 9.113 1.406 1.208 0.00 0.00 +0.046 A ATOM 16 C LIG 1 8.310 0.872 2.187 0.00 0.00 +0.008 A ATOM 17 C LIG 1 7.005 0.579 1.698 0.00 0.00 +0.017 A ENDBRANCH 9 13 ENDBRANCH 4 7 BRANCH 1 19 ATOM 18 N LIG 1 -2.021 -0.919 1.647 0.00 0.00 -0.296 N ATOM 19 C LIG 1 -1.092 -1.695 0.948 0.00 0.00 +0.250 C ATOM 20 O LIG 1 -1.411 -2.718 0.346 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 -1.710 0.309 2.389 0.00 0.00 +0.105 C ATOM 22 C LIG 1 -1.893 1.570 1.566 0.00 0.00 +0.024 C ENDBRANCH 18 21 BRANCH 18 23 ATOM 23 C LIG 1 -3.412 -1.384 1.677 0.00 0.00 +0.123 C BRANCH 23 24 ATOM 24 C LIG 1 -4.172 -1.472 0.330 0.00 0.00 +0.103 C BRANCH 24 25 ATOM 25 N LIG 1 -4.437 -0.159 -0.303 0.00 0.00 -0.301 NA BRANCH 25 27 ATOM 26 C LIG 1 -3.527 1.536 -1.919 0.00 0.00 +0.020 C ATOM 27 C LIG 1 -3.422 0.133 -1.330 0.00 0.00 +0.081 C ENDBRANCH 25 27 BRANCH 25 28 ATOM 28 C LIG 1 -5.820 -0.066 -0.801 0.00 0.00 +0.081 C ATOM 29 C LIG 1 -6.189 -0.993 -1.957 0.00 0.00 +0.020 C ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 1 19 TORSDOF 9