REMARK Name = BDB010011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.375 0.124 -0.706 0.00 0.00 +0.148 A ATOM 2 N LIG 1 0.118 0.040 -0.123 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.348 -1.244 -0.315 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.624 -1.836 -1.105 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.554 -3.085 -1.589 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -0.589 -3.696 -1.230 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -1.584 -3.210 -0.461 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.487 -1.963 0.036 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.671 -1.000 -1.332 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 3.560 3.845 -3.198 0.00 0.00 +0.044 C ATOM 11 C LIG 1 3.316 3.118 -1.908 0.00 0.00 -0.050 A ATOM 12 C LIG 1 2.511 1.970 -1.886 0.00 0.00 +0.018 A ATOM 13 C LIG 1 2.240 1.303 -0.683 0.00 0.00 +0.059 A ATOM 14 C LIG 1 2.827 1.772 0.501 0.00 0.00 +0.131 A ATOM 15 C LIG 1 3.594 2.939 0.495 0.00 0.00 +0.046 A ATOM 16 C LIG 1 3.836 3.609 -0.705 0.00 0.00 +0.007 A BRANCH 14 17 ATOM 17 O LIG 1 2.570 1.122 1.683 0.00 0.00 -0.491 OA BRANCH 17 18 ATOM 18 C LIG 1 3.743 0.515 2.247 0.00 0.00 +0.231 C BRANCH 18 19 ATOM 19 C LIG 1 3.986 -0.865 1.643 0.00 0.00 +0.069 C BRANCH 19 20 ATOM 20 C LIG 1 5.113 -1.594 2.357 0.00 0.00 +0.159 C BRANCH 20 21 ATOM 21 O LIG 1 5.380 -2.835 1.721 0.00 0.00 -0.395 OA ATOM 22 H LIG 1 4.539 -3.316 1.629 0.00 0.00 +0.209 HD ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 6 23 ATOM 23 C LIG 1 -0.737 -5.099 -1.754 0.00 0.00 +0.375 C ATOM 24 O LIG 1 -1.677 -5.846 -1.539 0.00 0.00 -0.242 OA BRANCH 23 25 ATOM 25 O LIG 1 0.336 -5.452 -2.516 0.00 0.00 -0.475 OA ATOM 26 H LIG 1 0.980 -4.705 -2.564 0.00 0.00 +0.296 HD ENDBRANCH 23 25 ENDBRANCH 6 23 BRANCH 8 27 ATOM 27 N LIG 1 -2.482 -1.440 0.862 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -2.056 -1.153 1.739 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.647 -2.296 1.117 0.00 0.00 +0.072 C ATOM 30 C LIG 1 -4.617 -2.248 -0.065 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 -4.328 -1.748 2.352 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -3.804 -2.088 3.727 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -5.115 -2.658 3.262 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 2 34 ATOM 34 C LIG 1 -0.601 1.146 0.494 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 C LIG 1 -1.272 2.027 -0.534 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -0.743 3.289 -0.843 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -1.351 4.101 -1.804 0.00 0.00 +0.019 A ATOM 38 C LIG 1 -2.501 3.664 -2.466 0.00 0.00 +0.052 A ATOM 39 C LIG 1 -3.041 2.412 -2.161 0.00 0.00 +0.019 A ATOM 40 C LIG 1 -2.431 1.599 -1.201 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -3.125 4.497 -3.452 0.00 0.00 +0.099 C ATOM 42 N LIG 1 -3.627 5.176 -4.248 0.00 0.00 -0.191 NA ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 14