REMARK Name = BDB034110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.300 1.397 4.213 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -1.136 1.188 3.014 0.00 0.00 +0.247 C ATOM 3 N LIG 1 0.080 0.800 2.454 0.00 0.00 -0.297 N ATOM 4 C LIG 1 0.385 0.891 1.023 0.00 0.00 +0.111 C ATOM 5 C LIG 1 1.842 1.257 0.783 0.00 0.00 +0.063 C ATOM 6 C LIG 1 2.790 0.231 1.415 0.00 0.00 +0.176 C ATOM 7 C LIG 1 2.237 -0.366 2.718 0.00 0.00 +0.063 C ATOM 8 C LIG 1 1.197 0.543 3.361 0.00 0.00 +0.111 C ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -2.302 1.353 2.121 0.00 0.00 +0.038 A ATOM 10 C LIG 1 -2.772 0.267 1.368 0.00 0.00 +0.025 A ATOM 11 C LIG 1 -3.888 0.415 0.528 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -4.516 1.676 0.481 0.00 0.00 +0.129 A ATOM 13 C LIG 1 -4.038 2.759 1.229 0.00 0.00 +0.047 A ATOM 14 C LIG 1 -2.941 2.593 2.070 0.00 0.00 +0.016 A BRANCH 11 15 ATOM 15 C LIG 1 -4.378 -0.735 -0.246 0.00 0.00 -0.014 A ATOM 16 C LIG 1 -4.919 -1.857 0.419 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -5.392 -2.949 -0.332 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -5.311 -2.903 -1.719 0.00 0.00 +0.066 A ATOM 19 N LIG 1 -5.840 -4.097 -2.146 0.00 0.00 -0.277 N ATOM 20 H LIG 1 -5.947 -4.415 -3.103 0.00 0.00 +0.189 HD ATOM 21 N LIG 1 -6.264 -4.900 -1.154 0.00 0.00 -0.181 NA ATOM 22 C LIG 1 -4.781 -1.815 -2.415 0.00 0.00 +0.028 A ATOM 23 C LIG 1 -5.987 -4.200 -0.051 0.00 0.00 +0.142 A ATOM 24 C LIG 1 -4.321 -0.735 -1.649 0.00 0.00 +0.011 A ENDBRANCH 11 15 BRANCH 12 25 ATOM 25 O LIG 1 -5.587 1.857 -0.359 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 -6.803 2.121 0.357 0.00 0.00 +0.188 C ATOM 27 C LIG 1 -7.834 1.034 0.022 0.00 0.00 +0.125 C ATOM 28 N LIG 1 -9.005 1.737 -0.518 0.00 0.00 -0.312 NA ATOM 29 H LIG 1 -9.489 1.144 -1.192 0.00 0.00 +0.122 HD ATOM 30 C LIG 1 -8.463 2.920 -1.176 0.00 0.00 +0.084 C ATOM 31 C LIG 1 -7.416 3.405 -0.191 0.00 0.00 +0.061 C ENDBRANCH 25 26 ENDBRANCH 12 25 ENDBRANCH 2 9 BRANCH 6 32 ATOM 32 O LIG 1 4.031 0.894 1.733 0.00 0.00 -0.489 OA BRANCH 32 33 ATOM 33 C LIG 1 4.952 0.847 0.722 0.00 0.00 +0.125 A ATOM 34 C LIG 1 5.500 -0.362 0.276 0.00 0.00 +0.069 A ATOM 35 C LIG 1 6.475 -0.408 -0.741 0.00 0.00 +0.036 A ATOM 36 C LIG 1 6.858 0.820 -1.294 0.00 0.00 +0.061 A ATOM 37 C LIG 1 6.333 2.023 -0.819 0.00 0.00 +0.129 A ATOM 38 F LIG 1 6.748 3.176 -1.360 0.00 0.00 -0.205 F ATOM 39 C LIG 1 5.393 2.050 0.198 0.00 0.00 +0.084 A BRANCH 35 40 ATOM 40 N LIG 1 6.970 -1.642 -1.173 0.00 0.00 -0.327 N ATOM 41 C LIG 1 7.742 -1.740 -2.432 0.00 0.00 +0.120 C ATOM 42 C LIG 1 9.261 -1.568 -2.192 0.00 0.00 +0.100 C ATOM 43 N LIG 1 9.810 -2.472 -1.159 0.00 0.00 -0.313 NA ATOM 44 H LIG 1 9.686 -3.431 -1.482 0.00 0.00 +0.122 HD ATOM 45 C LIG 1 9.023 -2.309 0.082 0.00 0.00 +0.100 C ATOM 46 C LIG 1 7.505 -2.542 -0.122 0.00 0.00 +0.120 C ENDBRANCH 35 40 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7