REMARK Name = BDB064904 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.113 -0.002 -0.738 0.00 0.00 +0.201 C ATOM 2 N LIG 1 -0.966 -0.235 -1.599 0.00 0.00 -0.264 N ATOM 3 C LIG 1 0.157 -0.858 -1.063 0.00 0.00 +0.256 C ATOM 4 O LIG 1 0.169 -1.251 0.106 0.00 0.00 -0.272 OA ATOM 5 C LIG 1 -0.942 0.700 -2.729 0.00 0.00 +0.161 C ATOM 6 C LIG 1 -1.039 0.025 -4.089 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -2.198 1.530 -2.486 0.00 0.00 +0.237 C ATOM 8 O LIG 1 -2.534 2.502 -3.146 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 -2.901 0.977 -1.433 0.00 0.00 -0.280 N ATOM 10 C LIG 1 -4.005 1.656 -0.791 0.00 0.00 +0.134 C ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -3.421 -1.512 0.843 0.00 0.00 +0.169 A ATOM 12 C LIG 1 -2.904 -1.265 -0.444 0.00 0.00 +0.038 A ATOM 13 C LIG 1 -3.168 -2.204 -1.455 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -3.916 -3.354 -1.173 0.00 0.00 +0.130 A ATOM 15 C LIG 1 -4.435 -3.583 0.108 0.00 0.00 +0.082 A ATOM 16 C LIG 1 -4.206 -2.651 1.121 0.00 0.00 +0.164 A BRANCH 14 17 ATOM 17 N LIG 1 -4.166 -4.331 -2.241 0.00 0.00 +0.057 N ATOM 18 O LIG 1 -4.944 -5.263 -1.998 0.00 0.00 -0.126 OA ATOM 19 O LIG 1 -3.583 -4.165 -3.323 0.00 0.00 -0.126 OA ENDBRANCH 14 17 BRANCH 16 20 ATOM 20 O LIG 1 -4.711 -2.746 2.391 0.00 0.00 -0.491 OA ATOM 21 C LIG 1 -5.531 -3.865 2.702 0.00 0.00 +0.277 C ENDBRANCH 16 20 BRANCH 11 22 ATOM 22 O LIG 1 -3.222 -0.550 1.809 0.00 0.00 -0.488 OA BRANCH 22 24 ATOM 23 C LIG 1 -1.849 0.231 3.594 0.00 0.00 +0.048 C ATOM 24 C LIG 1 -2.264 -0.984 2.785 0.00 0.00 +0.226 C ENDBRANCH 22 24 ENDBRANCH 11 22 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 C LIG 1 1.334 -1.100 -2.021 0.00 0.00 +0.326 C BRANCH 25 26 ATOM 26 O LIG 1 2.435 -1.811 -1.472 0.00 0.00 -0.467 OA BRANCH 26 27 ATOM 27 C LIG 1 3.454 -1.000 -1.028 0.00 0.00 +0.216 A ATOM 28 N LIG 1 3.186 0.269 -0.661 0.00 0.00 -0.212 NA ATOM 29 C LIG 1 4.201 1.033 -0.199 0.00 0.00 +0.082 A ATOM 30 C LIG 1 5.525 0.545 -0.152 0.00 0.00 +0.001 A ATOM 31 C LIG 1 6.569 1.363 0.298 0.00 0.00 +0.013 A ATOM 32 C LIG 1 6.312 2.664 0.727 0.00 0.00 +0.046 A ATOM 33 C LIG 1 5.007 3.154 0.727 0.00 0.00 +0.126 A ATOM 34 C LIG 1 5.764 -0.777 -0.539 0.00 0.00 +0.015 A ATOM 35 C LIG 1 3.955 2.335 0.267 0.00 0.00 +0.031 A ATOM 36 C LIG 1 4.709 -1.570 -0.968 0.00 0.00 +0.068 A BRANCH 33 37 ATOM 37 O LIG 1 4.657 4.409 1.148 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 5.649 5.182 1.814 0.00 0.00 +0.277 C ENDBRANCH 33 37 BRANCH 35 39 ATOM 39 C LIG 1 2.513 2.805 0.335 0.00 0.00 +0.161 C BRANCH 39 40 ATOM 40 C LIG 1 1.713 1.955 1.292 0.00 0.00 +0.309 C ATOM 41 O LIG 1 2.045 1.582 2.406 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 0.520 1.586 0.780 0.00 0.00 -0.480 OA ATOM 43 H LIG 1 0.279 0.823 1.347 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 35 39 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 12