REMARK Name = BDB000139 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.480 -0.479 1.356 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -2.717 -0.562 0.786 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -3.406 -0.626 -0.505 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -4.818 -0.759 -0.071 0.00 0.00 -0.289 N ATOM 5 C LIG 1 -5.015 -0.685 1.406 0.00 0.00 +0.165 C ATOM 6 C LIG 1 -5.803 -0.933 -1.012 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -5.539 -0.983 -2.220 0.00 0.00 -0.272 OA ATOM 8 C LIG 1 -3.615 -0.599 1.850 0.00 0.00 +0.087 A ATOM 9 N LIG 1 -3.043 -0.551 3.046 0.00 0.00 -0.175 NA ATOM 10 N LIG 1 -1.723 -0.476 2.720 0.00 0.00 -0.263 N ATOM 11 H LIG 1 -1.020 -0.432 3.454 0.00 0.00 +0.190 HD ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 0.921 -0.368 1.565 0.00 0.00 +0.249 C ATOM 13 N LIG 1 -0.225 -0.412 0.786 0.00 0.00 -0.266 N ATOM 14 H LIG 1 -0.157 -0.461 -0.222 0.00 0.00 +0.157 HD ATOM 15 O LIG 1 0.932 -0.419 2.793 0.00 0.00 -0.270 OA BRANCH 12 19 ATOM 16 C LIG 1 4.702 -0.181 -0.526 0.00 0.00 +0.030 A ATOM 17 C LIG 1 3.552 0.429 -1.058 0.00 0.00 +0.024 A ATOM 18 C LIG 1 2.317 0.384 -0.400 0.00 0.00 +0.015 A ATOM 19 C LIG 1 2.206 -0.286 0.820 0.00 0.00 +0.037 A ATOM 20 C LIG 1 3.340 -0.879 1.379 0.00 0.00 +0.015 A ATOM 21 C LIG 1 4.569 -0.831 0.708 0.00 0.00 +0.024 A BRANCH 16 26 ATOM 22 C LIG 1 10.067 0.330 -1.431 0.00 0.00 +0.105 C ATOM 23 N LIG 1 8.788 0.665 -0.812 0.00 0.00 -0.302 NA ATOM 24 C LIG 1 7.892 1.320 -1.793 0.00 0.00 +0.103 C ATOM 25 C LIG 1 6.403 1.292 -1.378 0.00 0.00 +0.120 C ATOM 26 N LIG 1 5.905 -0.102 -1.236 0.00 0.00 -0.327 N ATOM 27 C LIG 1 6.965 -1.107 -1.006 0.00 0.00 +0.120 C ATOM 28 C LIG 1 8.143 -0.519 -0.199 0.00 0.00 +0.103 C ENDBRANCH 16 26 ENDBRANCH 12 19 ENDBRANCH 1 13 BRANCH 6 29 ATOM 29 C LIG 1 -7.267 -1.123 -0.544 0.00 0.00 +0.230 C BRANCH 29 30 ATOM 30 C LIG 1 -7.889 0.125 0.041 0.00 0.00 -0.010 A ATOM 31 C LIG 1 -8.597 0.059 1.251 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -9.168 1.207 1.804 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -9.049 2.431 1.148 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.369 2.507 -0.065 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.797 1.361 -0.620 0.00 0.00 +0.006 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 O LIG 1 -8.095 -1.540 -1.631 0.00 0.00 -0.378 OA ATOM 37 H LIG 1 -7.512 -1.548 -2.417 0.00 0.00 +0.211 HD ENDBRANCH 29 36 ENDBRANCH 6 29 TORSDOF 6