REMARK Name = BDB015207 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.690 -0.786 -0.541 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.326 -0.142 -1.261 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.310 0.575 -0.589 0.00 0.00 +0.119 A ATOM 4 N LIG 1 -1.314 0.695 0.750 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 -0.332 0.077 1.438 0.00 0.00 +0.113 A ATOM 6 C LIG 1 0.674 -0.667 0.849 0.00 0.00 +0.028 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 5.444 -1.946 -1.766 0.00 0.00 -0.327 N ATOM 8 C LIG 1 4.069 -1.985 -1.713 0.00 0.00 +0.069 A ATOM 9 C LIG 1 3.729 -3.034 -2.566 0.00 0.00 +0.089 A ATOM 10 C LIG 1 2.380 -3.356 -2.761 0.00 0.00 +0.030 A ATOM 11 C LIG 1 1.401 -2.610 -2.091 0.00 0.00 +0.011 A ATOM 12 C LIG 1 1.740 -1.553 -1.230 0.00 0.00 -0.016 A ATOM 13 N LIG 1 4.846 -3.613 -3.109 0.00 0.00 -0.236 NA ATOM 14 C LIG 1 3.099 -1.232 -1.034 0.00 0.00 +0.036 A ATOM 15 C LIG 1 5.857 -2.938 -2.616 0.00 0.00 +0.200 A BRANCH 7 21 ATOM 16 C LIG 1 8.731 1.815 2.423 0.00 0.00 +0.109 C ATOM 17 C LIG 1 7.688 2.148 1.385 0.00 0.00 +0.212 C ATOM 18 N LIG 1 7.055 1.076 0.764 0.00 0.00 -0.302 N ATOM 19 C LIG 1 7.272 -0.315 1.156 0.00 0.00 +0.110 C ATOM 20 C LIG 1 6.329 -1.285 0.457 0.00 0.00 +0.044 C ATOM 21 C LIG 1 6.349 -1.048 -1.058 0.00 0.00 +0.092 C ATOM 22 C LIG 1 6.163 0.431 -1.446 0.00 0.00 +0.044 C ATOM 23 C LIG 1 6.025 1.347 -0.235 0.00 0.00 +0.110 C ATOM 24 O LIG 1 7.429 3.321 1.119 0.00 0.00 -0.276 OA ENDBRANCH 7 21 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 N LIG 1 -2.324 1.249 -1.265 0.00 0.00 -0.327 N ATOM 26 H LIG 1 -2.897 1.691 -0.537 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.169 0.435 -2.143 0.00 0.00 +0.135 C BRANCH 27 28 ATOM 28 C LIG 1 -4.217 -0.406 -1.382 0.00 0.00 +0.145 C BRANCH 28 29 ATOM 29 O LIG 1 -4.729 -1.407 -2.280 0.00 0.00 -0.389 OA ATOM 30 H LIG 1 -5.316 -1.984 -1.761 0.00 0.00 +0.210 HD ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -5.403 0.449 -0.869 0.00 0.00 +0.117 C BRANCH 31 32 ATOM 32 N LIG 1 -5.051 1.456 0.146 0.00 0.00 -0.295 NA ATOM 33 C LIG 1 -6.122 2.456 0.319 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -7.319 1.980 1.113 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -7.198 0.926 2.036 0.00 0.00 -0.042 A ATOM 36 C LIG 1 -8.311 0.530 2.790 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -9.531 1.189 2.644 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -9.650 2.244 1.743 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.894 0.180 2.172 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -8.549 2.641 0.984 0.00 0.00 +0.005 A ATOM 41 C LIG 1 -4.723 0.879 1.464 0.00 0.00 +0.089 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8