REMARK Name = BDB052340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.583 -1.214 0.682 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -3.721 -0.410 1.010 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -4.803 -1.259 0.917 0.00 0.00 +0.117 A ATOM 4 N LIG 1 -4.302 -2.465 0.535 0.00 0.00 -0.268 N ATOM 5 N LIG 1 -2.965 -2.470 0.383 0.00 0.00 -0.171 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -3.856 0.989 1.352 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -3.382 1.983 0.473 0.00 0.00 +0.026 A ATOM 8 C LIG 1 -3.538 3.304 0.883 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -3.022 4.116 -0.089 0.00 0.00 -0.346 N ATOM 10 H LIG 1 -3.015 5.124 -0.028 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -2.541 3.357 -1.123 0.00 0.00 +0.085 A ATOM 12 N LIG 1 -4.094 3.751 2.025 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -4.540 2.754 2.822 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -2.753 2.032 -0.805 0.00 0.00 +0.029 A ATOM 15 C LIG 1 -4.454 1.397 2.549 0.00 0.00 +0.029 A ENDBRANCH 2 6 BRANCH 1 19 ATOM 16 C LIG 1 1.562 -0.116 0.508 0.00 0.00 +0.035 A ATOM 17 C LIG 1 0.738 0.382 1.524 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -0.614 0.023 1.591 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -1.167 -0.842 0.640 0.00 0.00 +0.003 A ATOM 20 C LIG 1 -0.334 -1.355 -0.361 0.00 0.00 +0.012 A ATOM 21 C LIG 1 1.019 -0.995 -0.428 0.00 0.00 +0.024 A BRANCH 16 24 ATOM 22 O LIG 1 3.633 -0.401 -1.576 0.00 0.00 -0.252 OA ATOM 23 C LIG 1 3.862 0.082 -0.476 0.00 0.00 +0.308 C ATOM 24 N LIG 1 2.913 0.289 0.516 0.00 0.00 -0.269 N ATOM 25 H LIG 1 3.173 0.941 1.240 0.00 0.00 +0.156 HD ATOM 26 N LIG 1 5.108 0.506 -0.033 0.00 0.00 -0.269 N ATOM 27 H LIG 1 5.200 0.627 0.964 0.00 0.00 +0.156 HD BRANCH 26 28 ATOM 28 C LIG 1 6.306 0.574 -0.774 0.00 0.00 +0.035 A ATOM 29 C LIG 1 6.379 0.398 -2.157 0.00 0.00 +0.023 A ATOM 30 C LIG 1 7.606 0.494 -2.820 0.00 0.00 +0.002 A ATOM 31 C LIG 1 8.770 0.772 -2.108 0.00 0.00 +0.000 A ATOM 32 C LIG 1 8.708 0.957 -0.730 0.00 0.00 +0.002 A ATOM 33 C LIG 1 7.482 0.861 -0.067 0.00 0.00 +0.023 A ENDBRANCH 26 28 ENDBRANCH 16 24 ENDBRANCH 1 19 BRANCH 4 34 ATOM 34 C LIG 1 -5.054 -3.684 0.288 0.00 0.00 +0.171 C BRANCH 34 35 ATOM 35 C LIG 1 -4.744 -4.277 -1.083 0.00 0.00 +0.179 C BRANCH 35 36 ATOM 36 O LIG 1 -3.451 -4.880 -1.107 0.00 0.00 -0.393 OA ATOM 37 H LIG 1 -2.832 -4.205 -0.746 0.00 0.00 +0.209 HD ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 7