REMARK Name = BDB051039 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.267 -0.491 -0.398 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.046 -0.771 0.264 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -1.037 -1.292 1.682 0.00 0.00 +0.046 C ATOM 4 C LIG 1 0.187 -0.521 -0.398 0.00 0.00 +0.052 A ATOM 5 C LIG 1 0.194 -0.004 -1.712 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -1.030 0.240 -2.317 0.00 0.00 +0.137 A ATOM 7 O LIG 1 -0.854 0.731 -3.574 0.00 0.00 -0.463 OA ATOM 8 C LIG 1 0.484 0.821 -3.781 0.00 0.00 +0.196 A ATOM 9 C LIG 1 1.172 0.392 -2.671 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -2.263 0.017 -1.714 0.00 0.00 +0.070 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 1.478 -0.774 0.282 0.00 0.00 +0.245 C ATOM 12 N LIG 1 2.346 -1.603 -0.390 0.00 0.00 -0.307 N ATOM 13 H LIG 1 2.114 -1.939 -1.318 0.00 0.00 +0.149 HD ATOM 14 O LIG 1 1.726 -0.270 1.369 0.00 0.00 -0.270 OA BRANCH 12 15 ATOM 15 C LIG 1 3.660 -1.917 0.122 0.00 0.00 +0.146 C BRANCH 15 16 ATOM 16 C LIG 1 4.604 -0.796 -0.207 0.00 0.00 +0.046 A ATOM 17 C LIG 1 4.975 -0.723 -1.659 0.00 0.00 +0.254 A ATOM 18 O LIG 1 4.526 -1.510 -2.488 0.00 0.00 -0.268 OA ATOM 19 N LIG 1 5.834 0.277 -2.030 0.00 0.00 -0.326 N ATOM 20 H LIG 1 6.068 0.305 -3.016 0.00 0.00 +0.169 HD ATOM 21 C LIG 1 6.355 1.212 -1.175 0.00 0.00 +0.017 A ATOM 22 C LIG 1 7.263 2.248 -1.761 0.00 0.00 +0.063 C ATOM 23 C LIG 1 6.028 1.154 0.123 0.00 0.00 +0.033 A ATOM 24 C LIG 1 5.138 0.113 0.643 0.00 0.00 +0.066 A BRANCH 24 25 ATOM 25 C LIG 1 4.929 0.190 2.136 0.00 0.00 +0.418 C ATOM 26 F LIG 1 6.127 0.319 2.777 0.00 0.00 -0.166 F ATOM 27 F LIG 1 4.344 -0.896 2.690 0.00 0.00 -0.166 F ATOM 28 F LIG 1 4.200 1.279 2.490 0.00 0.00 -0.166 F ENDBRANCH 24 25 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 4 11 BRANCH 1 29 ATOM 29 N LIG 1 -3.502 -0.738 0.274 0.00 0.00 -0.327 N BRANCH 29 30 ATOM 30 C LIG 1 -4.328 0.497 0.469 0.00 0.00 +0.078 C ATOM 31 C LIG 1 -5.544 0.213 1.360 0.00 0.00 +0.050 C ATOM 32 C LIG 1 -6.405 1.464 1.521 0.00 0.00 +0.161 C ATOM 33 O LIG 1 -5.676 2.675 1.325 0.00 0.00 -0.380 OA ATOM 34 C LIG 1 -4.378 2.612 1.900 0.00 0.00 +0.161 C ATOM 35 C LIG 1 -3.508 1.631 1.125 0.00 0.00 +0.050 C ENDBRANCH 29 30 BRANCH 29 37 ATOM 36 C LIG 1 -4.437 -2.979 0.666 0.00 0.00 +0.024 C ATOM 37 C LIG 1 -4.196 -1.884 -0.363 0.00 0.00 +0.102 C ENDBRANCH 29 37 ENDBRANCH 1 29 TORSDOF 7