REMARK Name = BDB049746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.299 1.031 -0.396 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.435 -0.159 -0.419 0.00 0.00 +0.049 A ATOM 3 C LIG 1 -1.438 -0.378 -1.376 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -1.692 0.625 -2.321 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.964 1.815 -2.302 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.029 2.019 -1.341 0.00 0.00 +0.045 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.233 1.103 0.599 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 2.122 2.223 0.585 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 3.140 2.050 1.712 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 3.096 -1.323 1.821 0.00 0.00 +0.088 C ATOM 11 C LIG 1 4.125 -0.337 1.448 0.00 0.00 +0.126 A ATOM 12 C LIG 1 4.181 1.039 1.386 0.00 0.00 +0.086 A ATOM 13 N LIG 1 5.426 1.429 0.942 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 6.074 0.293 0.751 0.00 0.00 +0.228 A ATOM 15 O LIG 1 5.335 -0.824 1.041 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 7.441 0.078 0.282 0.00 0.00 +0.037 A ATOM 17 C LIG 1 8.252 1.183 -0.021 0.00 0.00 +0.013 A ATOM 18 C LIG 1 9.563 1.008 -0.471 0.00 0.00 +0.001 A ATOM 19 C LIG 1 10.081 -0.276 -0.624 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.290 -1.384 -0.328 0.00 0.00 +0.001 A ATOM 21 C LIG 1 7.978 -1.208 0.122 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 -2.222 -1.669 -1.383 0.00 0.00 +0.072 C BRANCH 22 23 ATOM 23 C LIG 1 -3.491 -1.388 -0.635 0.00 0.00 -0.011 A ATOM 24 C LIG 1 -3.712 -1.474 0.776 0.00 0.00 +0.080 A ATOM 25 C LIG 1 -5.039 -1.121 0.985 0.00 0.00 +0.106 A ATOM 26 N LIG 1 -5.649 -0.822 -0.221 0.00 0.00 -0.322 N ATOM 27 C LIG 1 -4.695 -0.999 -1.201 0.00 0.00 +0.096 A BRANCH 26 28 ATOM 28 C LIG 1 -7.008 -0.413 -0.414 0.00 0.00 +0.046 A ATOM 29 C LIG 1 -7.494 -0.129 -1.700 0.00 0.00 +0.026 A ATOM 30 C LIG 1 -8.821 0.272 -1.888 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -9.678 0.393 -0.798 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -9.209 0.115 0.482 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -7.883 -0.286 0.677 0.00 0.00 +0.026 A ENDBRANCH 26 28 BRANCH 24 34 ATOM 34 C LIG 1 -2.759 -1.879 1.808 0.00 0.00 +0.339 C ATOM 35 O LIG 1 -1.807 -2.619 1.604 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 -3.002 -1.358 3.038 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 -3.700 -0.680 3.007 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 10