REMARK Name = BDB008198 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.514 -0.316 -1.461 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -2.775 -2.135 -0.390 0.00 0.00 -0.303 N ATOM 3 H LIG 1 -2.850 -1.479 0.381 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 -2.257 -1.660 -1.575 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -2.331 -2.279 -2.636 0.00 0.00 -0.274 OA BRANCH 2 7 ATOM 6 C LIG 1 -3.660 -4.006 0.918 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -3.727 -3.236 -0.393 0.00 0.00 +0.156 C BRANCH 7 8 ATOM 8 C LIG 1 -5.140 -2.657 -0.601 0.00 0.00 +0.231 C ATOM 9 O LIG 1 -5.417 -1.465 -0.473 0.00 0.00 -0.274 OA ATOM 10 N LIG 1 -6.117 -3.564 -0.903 0.00 0.00 -0.328 N ATOM 11 H LIG 1 -5.885 -4.463 -1.306 0.00 0.00 +0.145 HD ATOM 12 H LIG 1 -7.024 -3.178 -1.133 0.00 0.00 +0.145 HD ENDBRANCH 7 8 ENDBRANCH 2 7 ENDBRANCH 1 4 BRANCH 1 13 ATOM 13 N LIG 1 -0.129 -0.589 -1.834 0.00 0.00 -0.302 N ATOM 14 H LIG 1 0.025 -0.897 -2.788 0.00 0.00 +0.150 HD ATOM 15 C LIG 1 0.790 -0.981 -0.883 0.00 0.00 +0.234 C ATOM 16 O LIG 1 0.542 -0.993 0.322 0.00 0.00 -0.274 OA BRANCH 15 17 ATOM 17 C LIG 1 2.136 -1.469 -1.454 0.00 0.00 +0.156 C ATOM 18 C LIG 1 2.005 -2.918 -1.902 0.00 0.00 +0.038 C BRANCH 17 19 ATOM 19 N LIG 1 3.143 -1.344 -0.406 0.00 0.00 -0.304 N ATOM 20 H LIG 1 2.889 -1.770 0.479 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 3.902 -0.194 -0.318 0.00 0.00 +0.214 C ATOM 22 O LIG 1 3.948 0.650 -1.206 0.00 0.00 -0.276 OA BRANCH 21 23 ATOM 23 C LIG 1 4.696 -0.113 0.974 0.00 0.00 +0.099 C BRANCH 23 24 ATOM 24 C LIG 1 5.442 1.210 1.138 0.00 0.00 -0.002 C ATOM 25 C LIG 1 4.529 2.398 1.444 0.00 0.00 +0.004 C ATOM 26 C LIG 1 5.463 3.448 2.041 0.00 0.00 +0.000 C ATOM 27 C LIG 1 6.669 2.684 2.587 0.00 0.00 +0.000 C ATOM 28 C LIG 1 6.374 1.208 2.348 0.00 0.00 +0.004 C ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 1 13 BRANCH 1 29 ATOM 29 C LIG 1 -2.114 0.722 -2.417 0.00 0.00 +0.033 C BRANCH 29 30 ATOM 30 C LIG 1 -3.595 1.057 -2.186 0.00 0.00 +0.023 C BRANCH 30 31 ATOM 31 C LIG 1 -3.967 1.501 -0.770 0.00 0.00 +0.115 C BRANCH 31 32 ATOM 32 N LIG 1 -3.329 2.761 -0.426 0.00 0.00 -0.356 N ATOM 33 H LIG 1 -2.491 2.975 -0.950 0.00 0.00 +0.162 HD BRANCH 32 34 ATOM 34 C LIG 1 -3.374 3.320 0.803 0.00 0.00 +0.188 C ATOM 35 N LIG 1 -2.524 4.181 1.231 0.00 0.00 -0.269 NA ATOM 36 H LIG 1 -1.828 4.365 0.508 0.00 0.00 +0.190 HD BRANCH 34 37 ATOM 37 N LIG 1 -4.383 2.941 1.607 0.00 0.00 -0.370 N ATOM 38 H LIG 1 -4.393 3.534 2.431 0.00 0.00 +0.159 HD ATOM 39 H LIG 1 -5.282 2.959 1.145 0.00 0.00 +0.159 HD ENDBRANCH 34 37 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 14