REMARK Name = BDB003521 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.333 -0.798 -0.380 0.00 0.00 -0.232 N ATOM 2 C LIG 1 -1.128 0.091 0.457 0.00 0.00 +0.168 C ATOM 3 C LIG 1 -2.451 -0.633 0.740 0.00 0.00 +0.167 C ATOM 4 C LIG 1 -2.506 -1.575 -0.407 0.00 0.00 +0.231 C ATOM 5 O LIG 1 -3.498 -2.160 -0.800 0.00 0.00 -0.286 OA ATOM 6 C LIG 1 -1.115 -1.750 -0.996 0.00 0.00 +0.289 C ATOM 7 O LIG 1 -0.874 -2.598 -1.829 0.00 0.00 -0.266 OA ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 5.715 -0.274 -1.095 0.00 0.00 +0.121 A ATOM 9 C LIG 1 4.704 -1.130 -1.544 0.00 0.00 +0.063 A ATOM 10 C LIG 1 3.385 -0.881 -1.119 0.00 0.00 +0.044 A ATOM 11 C LIG 1 3.062 0.179 -0.274 0.00 0.00 +0.081 A ATOM 12 N LIG 1 1.721 0.288 0.051 0.00 0.00 -0.224 NA ATOM 13 C LIG 1 1.035 -0.666 -0.533 0.00 0.00 +0.169 A ATOM 14 C LIG 1 4.092 1.029 0.167 0.00 0.00 +0.032 A ATOM 15 S LIG 1 1.944 -1.742 -1.495 0.00 0.00 -0.052 S ATOM 16 C LIG 1 5.407 0.792 -0.249 0.00 0.00 +0.048 A BRANCH 8 18 ATOM 17 C LIG 1 7.425 -1.458 -2.253 0.00 0.00 +0.277 C ATOM 18 O LIG 1 7.043 -0.376 -1.413 0.00 0.00 -0.495 OA ENDBRANCH 8 18 ENDBRANCH 1 13 BRANCH 2 19 ATOM 19 C LIG 1 -1.401 1.382 -0.265 0.00 0.00 +0.127 A ATOM 20 O LIG 1 -2.100 2.312 0.452 0.00 0.00 -0.463 OA ATOM 21 C LIG 1 -2.260 3.403 -0.346 0.00 0.00 +0.102 A ATOM 22 C LIG 1 -2.987 4.544 0.244 0.00 0.00 +0.086 C ATOM 23 C LIG 1 -1.677 3.181 -1.573 0.00 0.00 +0.045 A ATOM 24 C LIG 1 -1.123 1.880 -1.523 0.00 0.00 +0.047 A ENDBRANCH 2 19 BRANCH 3 25 ATOM 25 C LIG 1 -2.405 -1.391 2.042 0.00 0.00 +0.211 C ATOM 26 O LIG 1 -1.321 -1.740 2.510 0.00 0.00 -0.288 OA BRANCH 25 27 ATOM 27 C LIG 1 -3.676 -1.700 2.670 0.00 0.00 +0.171 A ATOM 28 O LIG 1 -3.651 -2.234 3.931 0.00 0.00 -0.460 OA ATOM 29 C LIG 1 -4.935 -2.443 4.313 0.00 0.00 +0.196 A ATOM 30 C LIG 1 -5.800 -2.055 3.320 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -4.992 -1.577 2.259 0.00 0.00 +0.053 A ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 5