REMARK Name = BDB008139 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.842 0.741 -0.316 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.475 0.931 0.506 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.595 0.834 -0.552 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.935 0.398 -1.403 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.105 1.104 1.668 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 2.955 0.733 0.133 0.00 0.00 +0.163 C BRANCH 6 9 ATOM 7 C LIG 1 4.725 3.491 2.027 0.00 0.00 +0.109 C ATOM 8 C LIG 1 4.088 2.790 0.858 0.00 0.00 +0.211 C ATOM 9 N LIG 1 3.754 1.477 1.106 0.00 0.00 -0.304 N ATOM 10 H LIG 1 3.581 1.242 2.077 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 3.881 3.356 -0.210 0.00 0.00 -0.276 OA ENDBRANCH 6 9 BRANCH 6 12 ATOM 12 C LIG 1 3.257 -0.773 0.165 0.00 0.00 +0.067 C BRANCH 12 13 ATOM 13 C LIG 1 4.602 -1.117 -0.432 0.00 0.00 -0.045 A ATOM 14 C LIG 1 5.743 -1.194 0.377 0.00 0.00 +0.004 A ATOM 15 C LIG 1 6.986 -1.497 -0.180 0.00 0.00 +0.000 A ATOM 16 C LIG 1 7.101 -1.723 -1.550 0.00 0.00 +0.000 A ATOM 17 C LIG 1 5.973 -1.645 -2.365 0.00 0.00 +0.000 A ATOM 18 C LIG 1 4.729 -1.342 -1.810 0.00 0.00 +0.004 A ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -1.159 -0.761 -0.162 0.00 0.00 +0.234 C ATOM 20 N LIG 1 -1.946 -1.077 0.923 0.00 0.00 -0.303 N ATOM 21 H LIG 1 -2.408 -0.324 1.422 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -0.731 -1.603 -0.951 0.00 0.00 -0.274 OA BRANCH 20 23 ATOM 23 C LIG 1 -2.522 -2.405 1.090 0.00 0.00 +0.156 C ATOM 24 C LIG 1 -2.440 -2.844 2.545 0.00 0.00 +0.038 C BRANCH 23 25 ATOM 25 C LIG 1 -3.993 -2.365 0.632 0.00 0.00 +0.231 C ATOM 26 O LIG 1 -4.649 -1.329 0.523 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 -4.575 -3.580 0.404 0.00 0.00 -0.328 N ATOM 28 H LIG 1 -4.020 -4.411 0.245 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 -5.518 -3.577 0.035 0.00 0.00 +0.145 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 1 19 BRANCH 1 30 ATOM 30 C LIG 1 -1.606 1.351 -1.501 0.00 0.00 +0.033 C BRANCH 30 31 ATOM 31 C LIG 1 -3.128 1.192 -1.447 0.00 0.00 +0.023 C BRANCH 31 32 ATOM 32 C LIG 1 -3.792 1.924 -0.280 0.00 0.00 +0.115 C BRANCH 32 33 ATOM 33 N LIG 1 -5.127 1.409 -0.070 0.00 0.00 -0.356 N ATOM 34 H LIG 1 -5.132 0.467 0.331 0.00 0.00 +0.162 HD BRANCH 33 35 ATOM 35 C LIG 1 -6.197 1.668 -0.850 0.00 0.00 +0.188 C ATOM 36 N LIG 1 -6.383 2.669 -1.628 0.00 0.00 -0.269 NA ATOM 37 H LIG 1 -5.584 3.299 -1.555 0.00 0.00 +0.190 HD BRANCH 35 38 ATOM 38 N LIG 1 -7.157 0.732 -0.736 0.00 0.00 -0.370 N ATOM 39 H LIG 1 -7.866 0.876 -1.446 0.00 0.00 +0.159 HD ATOM 40 H LIG 1 -6.813 -0.218 -0.729 0.00 0.00 +0.159 HD ENDBRANCH 35 38 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 14