REMARK Name = BDB007147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.566 -3.008 -1.847 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.080 -2.333 -0.622 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.296 -1.838 0.466 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.170 -1.282 1.402 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.706 -0.714 2.601 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.671 -0.707 2.844 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.568 -1.242 1.919 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.452 -1.425 0.895 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.091 -1.824 0.734 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.411 -2.078 -0.323 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.631 -2.394 -1.122 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.022 -1.197 2.238 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.882 -1.178 1.161 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.507 -0.977 0.244 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.397 -1.144 3.404 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.320 -1.036 1.333 0.00 0.00 +0.100 C ATOM 17 C LIG 1 5.957 -2.327 1.856 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.941 -0.581 0.024 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.417 0.736 -0.102 0.00 0.00 +0.009 A ATOM 20 C LIG 1 6.973 1.221 -1.299 0.00 0.00 -0.044 A ATOM 21 C LIG 1 7.049 0.332 -2.382 0.00 0.00 +0.004 A ATOM 22 C LIG 1 6.574 -0.976 -2.284 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.018 -1.429 -1.090 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 7.497 2.633 -1.405 0.00 0.00 +0.019 C ATOM 25 C LIG 1 6.989 3.551 -2.492 0.00 0.00 +0.009 C ATOM 26 C LIG 1 6.599 3.801 -1.068 0.00 0.00 +0.009 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -3.669 -0.995 1.585 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -4.265 0.258 0.988 0.00 0.00 -0.027 A ATOM 29 C LIG 1 -5.579 0.246 0.487 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -6.173 1.393 -0.086 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -5.411 2.571 -0.115 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.110 2.600 0.394 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -3.541 1.453 0.942 0.00 0.00 +0.005 A BRANCH 30 34 ATOM 34 C LIG 1 -7.611 1.317 -0.636 0.00 0.00 +0.077 C ATOM 35 C LIG 1 -8.585 1.138 0.547 0.00 0.00 +0.032 C ATOM 36 C LIG 1 -8.050 2.574 -1.419 0.00 0.00 +0.032 C BRANCH 34 37 ATOM 37 C LIG 1 -7.757 0.157 -1.558 0.00 0.00 +0.073 C ATOM 38 N LIG 1 -7.883 -0.757 -2.264 0.00 0.00 -0.196 NA ENDBRANCH 34 37 ENDBRANCH 30 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 8