REMARK Name = BDB024300 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.661 -0.832 1.025 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.576 -2.061 0.125 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.142 -3.293 0.498 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.065 -4.399 -0.351 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.431 -4.290 -1.586 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.877 -3.073 -1.977 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.954 -1.966 -1.129 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.039 -1.183 2.914 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.119 -1.464 3.880 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -1.254 -1.171 2.488 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -2.117 -1.461 3.335 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.658 -0.352 0.953 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.397 -0.220 0.366 0.00 0.00 +0.136 A ATOM 14 N LIG 1 1.200 -0.475 0.963 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.220 -0.899 2.230 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.411 -1.059 2.923 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.623 -0.784 2.279 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 6.413 0.098 -1.468 0.00 0.00 +0.137 C ATOM 19 C LIG 1 4.915 0.222 -1.136 0.00 0.00 +0.136 C ATOM 20 N LIG 1 4.830 -0.079 0.296 0.00 0.00 -0.326 N ATOM 21 C LIG 1 6.157 -0.140 0.898 0.00 0.00 +0.108 C ATOM 22 C LIG 1 7.069 0.490 -0.149 0.00 0.00 +0.052 C BRANCH 18 24 ATOM 23 C LIG 1 8.095 0.766 -3.002 0.00 0.00 +0.194 C ATOM 24 O LIG 1 6.767 0.968 -2.539 0.00 0.00 -0.378 OA ENDBRANCH 18 24 ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -3.067 -0.328 1.001 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -3.600 -0.941 1.623 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.163 1.053 1.491 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -4.591 1.658 1.416 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -5.655 0.774 2.076 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -5.004 2.068 0.008 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -5.119 1.132 -1.030 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.499 1.529 -2.315 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.776 2.872 -2.580 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.671 3.814 -1.555 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.288 3.415 -0.271 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -6.166 3.281 -3.897 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -6.482 3.618 -4.963 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 10