REMARK Name = BDB008201 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.653 -1.155 1.442 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -2.493 -2.789 1.665 0.00 0.00 -0.303 N ATOM 3 H LIG 1 -2.895 -2.099 2.290 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 -1.416 -2.384 0.905 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -1.072 -2.957 -0.129 0.00 0.00 -0.274 OA BRANCH 2 7 ATOM 6 C LIG 1 -4.026 -4.623 2.216 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -3.450 -3.744 1.117 0.00 0.00 +0.156 C BRANCH 7 8 ATOM 8 C LIG 1 -4.575 -2.944 0.441 0.00 0.00 +0.231 C ATOM 9 O LIG 1 -4.817 -1.767 0.701 0.00 0.00 -0.274 OA ATOM 10 N LIG 1 -5.355 -3.639 -0.439 0.00 0.00 -0.328 N ATOM 11 H LIG 1 -6.032 -3.087 -0.953 0.00 0.00 +0.145 HD ATOM 12 H LIG 1 -4.999 -4.462 -0.904 0.00 0.00 +0.145 HD ENDBRANCH 7 8 ENDBRANCH 2 7 ENDBRANCH 1 4 BRANCH 1 13 ATOM 13 N LIG 1 0.601 -1.066 0.708 0.00 0.00 -0.302 N ATOM 14 H LIG 1 0.669 -1.629 -0.137 0.00 0.00 +0.150 HD ATOM 15 C LIG 1 1.658 -0.294 1.117 0.00 0.00 +0.234 C ATOM 16 O LIG 1 1.647 0.357 2.160 0.00 0.00 -0.274 OA BRANCH 15 17 ATOM 17 C LIG 1 2.885 -0.347 0.191 0.00 0.00 +0.157 C ATOM 18 C LIG 1 3.779 -1.509 0.598 0.00 0.00 +0.038 C BRANCH 17 19 ATOM 19 N LIG 1 3.592 0.924 0.309 0.00 0.00 -0.288 N ATOM 20 H LIG 1 3.743 1.199 1.271 0.00 0.00 +0.151 HD ATOM 21 C LIG 1 3.196 1.984 -0.466 0.00 0.00 +0.302 C ATOM 22 N LIG 1 3.853 3.171 -0.202 0.00 0.00 -0.292 N ATOM 23 C LIG 1 5.042 3.306 0.629 0.00 0.00 +0.133 C ATOM 24 C LIG 1 3.409 4.381 -0.872 0.00 0.00 +0.133 C ATOM 25 O LIG 1 2.322 1.871 -1.323 0.00 0.00 -0.253 OA ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 1 13 BRANCH 1 26 ATOM 26 C LIG 1 -1.492 0.133 1.374 0.00 0.00 +0.033 C BRANCH 26 27 ATOM 27 C LIG 1 -2.005 0.543 -0.014 0.00 0.00 +0.023 C BRANCH 27 28 ATOM 28 C LIG 1 -0.931 1.135 -0.930 0.00 0.00 +0.115 C BRANCH 28 29 ATOM 29 N LIG 1 -1.553 1.674 -2.119 0.00 0.00 -0.356 N ATOM 30 H LIG 1 -2.404 1.216 -2.430 0.00 0.00 +0.162 HD BRANCH 29 31 ATOM 31 C LIG 1 -0.963 2.352 -3.118 0.00 0.00 +0.188 C ATOM 32 N LIG 1 -1.591 2.490 -4.233 0.00 0.00 -0.269 NA ATOM 33 H LIG 1 -1.029 3.072 -4.853 0.00 0.00 +0.190 HD BRANCH 31 34 ATOM 34 N LIG 1 0.245 2.895 -2.892 0.00 0.00 -0.370 N ATOM 35 H LIG 1 0.856 2.390 -2.247 0.00 0.00 +0.159 HD ATOM 36 H LIG 1 0.765 3.163 -3.712 0.00 0.00 +0.159 HD ENDBRANCH 31 34 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 12