REMARK Name = BDB015110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.374 0.431 -1.776 0.00 0.00 +0.166 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.118 1.508 -2.689 0.00 0.00 -0.387 OA ATOM 3 H LIG 1 0.821 1.743 -2.566 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 -1.883 0.099 -1.724 0.00 0.00 +0.119 C BRANCH 4 6 ATOM 5 C LIG 1 -4.065 0.357 -0.653 0.00 0.00 +0.098 C ATOM 6 N LIG 1 -2.735 0.999 -0.906 0.00 0.00 -0.292 NA ATOM 7 C LIG 1 -2.837 2.333 -1.517 0.00 0.00 +0.090 C ATOM 8 C LIG 1 -3.704 3.260 -0.663 0.00 0.00 +0.051 C ATOM 9 C LIG 1 -5.093 2.701 -0.578 0.00 0.00 -0.041 A ATOM 10 C LIG 1 -6.200 3.555 -0.471 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -7.490 3.031 -0.459 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -7.680 1.657 -0.562 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -6.579 0.804 -0.649 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -5.267 1.309 -0.623 0.00 0.00 -0.027 A BRANCH 5 15 ATOM 15 C LIG 1 -3.927 -0.355 0.710 0.00 0.00 +0.144 C BRANCH 15 16 ATOM 16 C LIG 1 -4.920 -1.475 0.872 0.00 0.00 +0.309 C ATOM 17 O LIG 1 -5.209 -2.278 -0.005 0.00 0.00 -0.251 OA BRANCH 16 18 ATOM 18 O LIG 1 -5.410 -1.491 2.142 0.00 0.00 -0.465 OA BRANCH 18 20 ATOM 19 C LIG 1 -7.757 -2.083 2.056 0.00 0.00 +0.048 C ATOM 20 C LIG 1 -6.357 -2.526 2.441 0.00 0.00 +0.229 C ENDBRANCH 18 20 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 5 15 ENDBRANCH 4 6 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 C LIG 1 0.213 0.753 -0.394 0.00 0.00 +0.261 C BRANCH 21 22 ATOM 22 O LIG 1 1.636 0.912 -0.494 0.00 0.00 -0.489 OA BRANCH 22 23 ATOM 23 C LIG 1 2.434 -0.187 -0.342 0.00 0.00 +0.121 A ATOM 24 C LIG 1 3.807 0.092 -0.353 0.00 0.00 +0.054 A ATOM 25 C LIG 1 4.767 -0.924 -0.214 0.00 0.00 -0.014 A ATOM 26 C LIG 1 4.313 -2.242 -0.064 0.00 0.00 +0.009 A ATOM 27 C LIG 1 2.947 -2.531 -0.057 0.00 0.00 +0.004 A ATOM 28 C LIG 1 2.009 -1.506 -0.196 0.00 0.00 +0.045 A BRANCH 25 29 ATOM 29 C LIG 1 6.207 -0.614 -0.225 0.00 0.00 -0.016 A ATOM 30 C LIG 1 7.025 -0.999 0.856 0.00 0.00 +0.036 A ATOM 31 C LIG 1 8.389 -0.679 0.797 0.00 0.00 +0.069 A ATOM 32 C LIG 1 8.959 -0.004 -0.278 0.00 0.00 +0.089 A ATOM 33 N LIG 1 10.306 0.182 -0.086 0.00 0.00 -0.236 NA ATOM 34 C LIG 1 10.565 -0.360 1.082 0.00 0.00 +0.200 A ATOM 35 C LIG 1 8.148 0.379 -1.354 0.00 0.00 +0.030 A ATOM 36 N LIG 1 9.442 -0.889 1.652 0.00 0.00 -0.333 N ATOM 37 C LIG 1 9.381 -1.551 2.929 0.00 0.00 +0.150 C ATOM 38 C LIG 1 6.780 0.069 -1.313 0.00 0.00 +0.011 A ENDBRANCH 25 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 11