REMARK Name = BDB024774 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.546 -2.278 0.652 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.121 -0.976 0.338 0.00 0.00 -0.234 N ATOM 3 C LIG 1 6.109 0.106 0.540 0.00 0.00 +0.082 C ATOM 4 C LIG 1 7.226 0.049 -0.515 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.525 1.528 0.533 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.169 1.553 1.206 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.271 0.631 0.432 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.934 0.963 0.133 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.227 2.099 0.449 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.018 1.931 -0.048 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.074 0.715 -0.693 0.00 0.00 -0.326 N ATOM 12 C LIG 1 1.141 0.077 -0.585 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.612 -1.156 -1.036 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.938 -1.482 -0.724 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.768 -0.625 0.015 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.710 -2.565 0.923 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 4.966 -4.515 1.083 0.00 0.00 +0.282 C ATOM 18 O LIG 1 4.545 -3.204 0.706 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.248 0.187 -1.371 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 -2.113 -0.659 -0.425 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 -3.311 -1.212 -1.090 0.00 0.00 -0.301 NA ATOM 22 C LIG 1 -4.343 -0.195 -1.259 0.00 0.00 +0.105 C BRANCH 21 23 ATOM 23 C LIG 1 -3.786 -2.409 -0.350 0.00 0.00 +0.118 C BRANCH 23 24 ATOM 24 C LIG 1 -5.023 -3.222 -0.863 0.00 0.00 +0.073 C ATOM 25 C LIG 1 -6.369 -2.576 -0.513 0.00 0.00 +0.042 C ATOM 26 C LIG 1 -4.984 -4.624 -0.230 0.00 0.00 +0.042 C BRANCH 24 27 ATOM 27 O LIG 1 -4.940 -3.396 -2.281 0.00 0.00 -0.388 OA ATOM 28 H LIG 1 -5.732 -3.876 -2.575 0.00 0.00 +0.210 HD ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 29 ATOM 29 C LIG 1 -1.104 2.912 0.049 0.00 0.00 +0.097 C BRANCH 29 30 ATOM 30 C LIG 1 -0.906 3.884 1.208 0.00 0.00 +0.151 C BRANCH 30 31 ATOM 31 N LIG 1 -1.982 4.856 1.277 0.00 0.00 -0.271 N ATOM 32 N LIG 1 -3.237 4.449 1.555 0.00 0.00 -0.180 NA ATOM 33 C LIG 1 -3.944 5.582 1.543 0.00 0.00 +0.134 A ATOM 34 C LIG 1 -3.152 6.706 1.249 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -1.883 6.203 1.079 0.00 0.00 +0.108 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 10