REMARK Name = BDB021657 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.838 -0.660 -0.249 0.00 0.00 +0.124 A ATOM 2 C LIG 1 2.478 0.519 -0.894 0.00 0.00 +0.092 A ATOM 3 C LIG 1 1.202 1.108 -0.722 0.00 0.00 +0.136 A ATOM 4 O LIG 1 1.113 2.252 -1.462 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 0.082 3.171 -1.151 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -1.270 2.576 -1.474 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -1.820 1.919 -0.303 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -1.170 0.900 0.387 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -1.774 0.278 1.268 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.249 0.490 0.098 0.00 0.00 +0.079 A ATOM 11 C LIG 1 0.640 -0.706 0.747 0.00 0.00 +0.020 A ATOM 12 C LIG 1 1.909 -1.268 0.580 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 4.039 -1.303 -0.333 0.00 0.00 -0.487 OA BRANCH 13 16 ATOM 14 N LIG 1 7.231 0.028 -0.571 0.00 0.00 -0.297 NA ATOM 15 C LIG 1 5.808 0.390 -0.489 0.00 0.00 +0.129 C ATOM 16 C LIG 1 5.051 -0.754 -1.183 0.00 0.00 +0.189 C ATOM 17 C LIG 1 6.115 -1.833 -1.394 0.00 0.00 +0.061 C ATOM 18 C LIG 1 7.251 -1.432 -0.468 0.00 0.00 +0.088 C BRANCH 14 19 ATOM 19 C LIG 1 8.029 0.701 0.466 0.00 0.00 +0.112 C BRANCH 19 20 ATOM 20 C LIG 1 9.541 0.404 0.391 0.00 0.00 +0.174 C BRANCH 20 22 ATOM 21 C LIG 1 9.961 -0.916 2.329 0.00 0.00 +0.194 C ATOM 22 O LIG 1 9.898 -0.880 0.911 0.00 0.00 -0.382 OA ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 14 19 ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 7 23 ATOM 23 C LIG 1 -3.264 2.099 -0.056 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -4.125 1.102 -0.853 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -4.006 1.397 -2.259 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -4.410 0.649 -2.733 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -5.622 1.183 -0.468 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -5.941 1.004 0.957 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -5.569 -0.322 1.486 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -6.485 -1.448 1.058 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -7.819 -1.192 0.692 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -8.660 -2.256 0.340 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -8.187 -3.567 0.371 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.871 -3.826 0.749 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.327 0.227 0.614 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -6.024 -2.772 1.095 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -7.365 1.248 1.244 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 10