REMARK Name = BDB024576 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.920 -0.730 -2.184 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.316 -0.977 -0.938 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -6.038 -1.808 0.048 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.741 -3.298 -0.168 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.776 -1.354 1.480 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.299 -1.408 1.794 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.491 -0.719 0.732 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.180 -0.285 1.045 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.490 -0.438 2.222 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.289 0.068 2.014 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.234 0.674 0.772 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -1.396 0.357 0.097 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.844 0.545 -1.209 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.137 0.096 -1.520 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.985 -0.522 -0.586 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.500 0.002 -3.073 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.931 1.373 0.173 0.00 0.00 +0.090 C ATOM 18 C LIG 1 1.616 2.434 1.099 0.00 0.00 +0.034 C ATOM 19 C LIG 1 1.724 3.301 -0.121 0.00 0.00 -0.001 C ATOM 20 C LIG 1 3.035 3.391 -0.859 0.00 0.00 +0.089 C ATOM 21 N LIG 1 2.700 4.811 -1.139 0.00 0.00 -0.315 NA ATOM 22 H LIG 1 3.472 5.465 -1.019 0.00 0.00 +0.122 HD ATOM 23 C LIG 1 1.718 4.797 -0.023 0.00 0.00 +0.089 C ATOM 24 C LIG 1 0.571 2.576 -0.766 0.00 0.00 +0.034 C ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 -7.761 -1.194 -3.580 0.00 0.00 +0.282 C ATOM 26 O LIG 1 -7.099 -1.411 -2.333 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 0.832 -0.071 2.995 0.00 0.00 +0.079 C BRANCH 27 28 ATOM 28 C LIG 1 1.539 -1.426 2.881 0.00 0.00 +0.043 C BRANCH 28 29 ATOM 29 C LIG 1 2.367 -1.565 1.626 0.00 0.00 -0.044 A ATOM 30 C LIG 1 3.595 -0.897 1.504 0.00 0.00 +0.049 A ATOM 31 C LIG 1 4.346 -0.970 0.327 0.00 0.00 +0.121 A ATOM 32 C LIG 1 3.876 -1.746 -0.731 0.00 0.00 +0.045 A ATOM 33 C LIG 1 2.659 -2.425 -0.618 0.00 0.00 +0.004 A ATOM 34 C LIG 1 1.906 -2.332 0.551 0.00 0.00 +0.004 A BRANCH 31 35 ATOM 35 O LIG 1 5.503 -0.244 0.352 0.00 0.00 -0.489 OA BRANCH 35 36 ATOM 36 C LIG 1 6.266 -0.104 -0.851 0.00 0.00 +0.167 C ATOM 37 C LIG 1 7.280 -1.238 -0.957 0.00 0.00 +0.051 C ATOM 38 C LIG 1 6.991 1.237 -0.755 0.00 0.00 +0.051 C ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 7