REMARK Name = BDB015905 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.942 -0.119 -0.415 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.398 -0.185 -0.554 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.028 -1.324 -0.199 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -0.331 -2.402 0.345 0.00 0.00 +0.060 A ATOM 5 C LIG 1 1.040 -2.237 0.429 0.00 0.00 +0.126 A ATOM 6 N LIG 1 1.699 -1.118 0.063 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.671 2.466 -1.087 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.015 1.280 -0.719 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.614 1.137 -0.808 0.00 0.00 +0.020 A ATOM 10 C LIG 1 0.885 2.241 -1.286 0.00 0.00 +0.011 A ATOM 11 C LIG 1 1.520 3.429 -1.654 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.906 3.540 -1.554 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 8.410 3.769 -1.823 0.00 0.00 +0.172 C ATOM 14 N LIG 1 7.207 3.155 -1.314 0.00 0.00 -0.274 N ATOM 15 N LIG 1 7.295 2.256 -0.319 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.024 1.896 -0.114 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.117 2.567 -0.969 0.00 0.00 +0.020 A ATOM 18 C LIG 1 5.929 3.376 -1.738 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -0.941 -3.639 0.818 0.00 0.00 +0.097 A ATOM 20 N LIG 1 -0.311 -4.820 0.685 0.00 0.00 -0.171 NA ATOM 21 N LIG 1 -1.148 -5.718 1.232 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -0.777 -7.113 1.251 0.00 0.00 +0.172 C ATOM 23 C LIG 1 -2.289 -5.166 1.727 0.00 0.00 +0.108 A ATOM 24 C LIG 1 -2.185 -3.818 1.483 0.00 0.00 +0.049 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.431 -1.384 -0.359 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.652 -2.257 -0.840 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.033 -0.240 -1.044 0.00 0.00 +0.104 C BRANCH 27 28 ATOM 28 C LIG 1 -4.555 -0.316 -0.948 0.00 0.00 +0.038 C BRANCH 28 29 ATOM 29 C LIG 1 -5.107 -0.293 0.481 0.00 0.00 +0.113 C BRANCH 29 30 ATOM 30 N LIG 1 -4.829 0.916 1.231 0.00 0.00 -0.264 N ATOM 31 C LIG 1 -5.347 2.152 0.933 0.00 0.00 +0.403 C ATOM 32 O LIG 1 -6.184 2.401 0.082 0.00 0.00 -0.226 OA ATOM 33 O LIG 1 -4.760 3.099 1.727 0.00 0.00 -0.449 OA ATOM 34 C LIG 1 -3.945 2.427 2.696 0.00 0.00 +0.253 C ATOM 35 C LIG 1 -3.725 1.045 2.132 0.00 0.00 +0.152 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8