REMARK Name = BDB064905 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.014 -1.847 -0.666 0.00 0.00 +0.256 C ATOM 2 N LIG 1 -1.586 -1.822 0.599 0.00 0.00 -0.264 N ATOM 3 C LIG 1 -0.840 -1.878 1.861 0.00 0.00 +0.161 C ATOM 4 C LIG 1 -0.319 -0.542 2.363 0.00 0.00 +0.038 C ATOM 5 C LIG 1 -1.885 -2.416 2.834 0.00 0.00 +0.237 C ATOM 6 O LIG 1 -1.677 -2.689 4.007 0.00 0.00 -0.274 OA ATOM 7 N LIG 1 -3.089 -2.545 2.169 0.00 0.00 -0.280 N ATOM 8 C LIG 1 -4.228 -3.233 2.732 0.00 0.00 +0.134 C ATOM 9 C LIG 1 -2.917 -2.363 0.756 0.00 0.00 +0.201 C ATOM 10 O LIG 1 -1.661 -2.211 -1.650 0.00 0.00 -0.272 OA ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 -4.039 -1.567 0.110 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -4.258 -0.192 0.322 0.00 0.00 +0.169 A ATOM 13 C LIG 1 -5.392 0.463 -0.216 0.00 0.00 +0.164 A ATOM 14 C LIG 1 -6.268 -0.242 -1.043 0.00 0.00 +0.082 A ATOM 15 C LIG 1 -6.031 -1.596 -1.301 0.00 0.00 +0.130 A ATOM 16 C LIG 1 -4.939 -2.258 -0.726 0.00 0.00 +0.043 A BRANCH 15 17 ATOM 17 N LIG 1 -6.957 -2.341 -2.163 0.00 0.00 +0.057 N ATOM 18 O LIG 1 -6.853 -3.575 -2.188 0.00 0.00 -0.126 OA ATOM 19 O LIG 1 -7.794 -1.691 -2.805 0.00 0.00 -0.126 OA ENDBRANCH 15 17 BRANCH 13 20 ATOM 20 O LIG 1 -5.558 1.779 0.136 0.00 0.00 -0.491 OA ATOM 21 C LIG 1 -6.717 2.455 -0.332 0.00 0.00 +0.277 C ENDBRANCH 13 20 BRANCH 12 22 ATOM 22 O LIG 1 -3.385 0.491 1.134 0.00 0.00 -0.488 OA BRANCH 22 23 ATOM 23 C LIG 1 -2.653 1.499 0.420 0.00 0.00 +0.226 C ATOM 24 C LIG 1 -2.518 2.720 1.312 0.00 0.00 +0.048 C ENDBRANCH 22 23 ENDBRANCH 12 22 ENDBRANCH 9 11 BRANCH 1 25 ATOM 25 C LIG 1 0.436 -1.374 -0.783 0.00 0.00 +0.326 C BRANCH 25 26 ATOM 26 O LIG 1 0.925 -1.565 -2.106 0.00 0.00 -0.467 OA BRANCH 26 33 ATOM 27 C LIG 1 6.125 0.994 -0.509 0.00 0.00 +0.126 A ATOM 28 C LIG 1 4.839 0.441 -0.321 0.00 0.00 +0.031 A ATOM 29 C LIG 1 4.110 -0.078 -1.401 0.00 0.00 +0.082 A ATOM 30 C LIG 1 4.705 -0.068 -2.680 0.00 0.00 +0.001 A ATOM 31 C LIG 1 3.984 -0.593 -3.760 0.00 0.00 +0.015 A ATOM 32 C LIG 1 2.708 -1.100 -3.557 0.00 0.00 +0.068 A ATOM 33 C LIG 1 2.198 -1.062 -2.277 0.00 0.00 +0.216 A ATOM 34 C LIG 1 5.989 0.462 -2.860 0.00 0.00 +0.013 A ATOM 35 N LIG 1 2.870 -0.574 -1.211 0.00 0.00 -0.212 NA ATOM 36 C LIG 1 6.692 0.994 -1.780 0.00 0.00 +0.046 A BRANCH 27 37 ATOM 37 O LIG 1 6.719 1.504 0.615 0.00 0.00 -0.492 OA BRANCH 37 39 ATOM 38 C LIG 1 7.846 3.596 0.109 0.00 0.00 +0.048 C ATOM 39 C LIG 1 7.992 2.141 0.520 0.00 0.00 +0.225 C ENDBRANCH 37 39 ENDBRANCH 27 37 BRANCH 28 40 ATOM 40 C LIG 1 4.194 0.455 1.053 0.00 0.00 +0.161 C BRANCH 40 41 ATOM 41 C LIG 1 3.308 1.654 1.271 0.00 0.00 +0.309 C ATOM 42 O LIG 1 3.167 2.636 0.562 0.00 0.00 -0.251 OA BRANCH 41 43 ATOM 43 O LIG 1 2.627 1.570 2.437 0.00 0.00 -0.480 OA ATOM 44 H LIG 1 2.129 2.414 2.469 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 28 40 ENDBRANCH 26 33 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 13