REMARK Name = BDB032448 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.957 -2.561 -1.693 0.00 0.00 +0.056 A ATOM 2 N LIG 1 0.884 -2.469 -3.045 0.00 0.00 -0.259 NA ATOM 3 C LIG 1 -0.338 -2.284 -3.589 0.00 0.00 +0.111 A ATOM 4 C LIG 1 -1.505 -2.189 -2.850 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -1.428 -2.291 -1.459 0.00 0.00 -0.027 A ATOM 6 C LIG 1 -0.171 -2.476 -0.875 0.00 0.00 +0.029 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.332 -2.756 -1.077 0.00 0.00 +0.140 C BRANCH 7 11 ATOM 8 N LIG 1 4.269 0.388 1.042 0.00 0.00 -0.294 NA ATOM 9 C LIG 1 4.861 -0.714 0.246 0.00 0.00 +0.072 C ATOM 10 C LIG 1 4.014 -1.984 0.535 0.00 0.00 +0.104 C ATOM 11 N LIG 1 2.704 -1.697 -0.125 0.00 0.00 -0.291 NA ATOM 12 C LIG 1 2.952 -0.379 -0.784 0.00 0.00 +0.073 C ATOM 13 C LIG 1 4.418 -0.433 -1.181 0.00 0.00 +0.040 C ATOM 14 C LIG 1 3.017 0.716 0.318 0.00 0.00 +0.104 C BRANCH 8 16 ATOM 15 C LIG 1 5.803 2.255 0.238 0.00 0.00 +0.024 C ATOM 16 C LIG 1 5.156 1.495 1.399 0.00 0.00 +0.051 C ATOM 17 C LIG 1 4.432 2.476 2.331 0.00 0.00 +0.024 C ENDBRANCH 8 16 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 5 18 ATOM 18 C LIG 1 -2.668 -2.167 -0.610 0.00 0.00 +0.137 C BRANCH 18 19 ATOM 19 N LIG 1 -3.124 -0.784 -0.644 0.00 0.00 -0.339 N ATOM 20 H LIG 1 -2.342 -0.143 -0.526 0.00 0.00 +0.146 HD BRANCH 19 21 ATOM 21 C LIG 1 -4.228 -0.369 0.129 0.00 0.00 +0.035 A ATOM 22 C LIG 1 -4.551 1.023 0.213 0.00 0.00 +0.008 A ATOM 23 C LIG 1 -5.668 1.450 0.977 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -5.935 2.841 1.057 0.00 0.00 +0.124 A ATOM 25 N LIG 1 -5.196 3.774 0.433 0.00 0.00 -0.240 NA ATOM 26 C LIG 1 -4.160 3.349 -0.308 0.00 0.00 +0.113 A ATOM 27 C LIG 1 -6.468 0.474 1.611 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -6.189 -0.881 1.480 0.00 0.00 +0.003 A ATOM 29 C LIG 1 -3.807 2.020 -0.446 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -5.090 -1.296 0.735 0.00 0.00 +0.023 A BRANCH 24 31 ATOM 31 N LIG 1 -7.019 3.337 1.801 0.00 0.00 -0.343 N ATOM 32 H LIG 1 -6.919 3.047 2.768 0.00 0.00 +0.144 HD ATOM 33 H LIG 1 -7.880 2.953 1.428 0.00 0.00 +0.144 HD ENDBRANCH 24 31 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 5 18 TORSDOF 7