REMARK Name = BDB065102 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.360 1.618 1.341 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -3.333 0.955 0.581 0.00 0.00 +0.164 A ATOM 3 C LIG 1 -2.930 0.057 -0.410 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.593 -0.211 -0.663 0.00 0.00 +0.078 A ATOM 5 C LIG 1 -0.596 0.457 0.081 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.771 0.176 -0.221 0.00 0.00 +0.039 A ATOM 7 C LIG 1 1.041 -0.799 -1.181 0.00 0.00 +0.062 A ATOM 8 C LIG 1 -0.014 -1.400 -1.847 0.00 0.00 +0.142 A ATOM 9 N LIG 1 -1.312 -1.111 -1.613 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 -1.009 1.362 1.091 0.00 0.00 +0.061 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -1.874 3.137 3.125 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -2.826 2.484 2.298 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 8 13 ATOM 13 C LIG 1 0.232 -2.391 -2.858 0.00 0.00 +0.119 C ATOM 14 N LIG 1 0.471 -3.188 -3.670 0.00 0.00 -0.189 NA ENDBRANCH 8 13 BRANCH 6 15 ATOM 15 N LIG 1 1.788 0.824 0.503 0.00 0.00 -0.340 N ATOM 16 H LIG 1 1.576 1.817 0.592 0.00 0.00 +0.146 HD BRANCH 15 17 ATOM 17 C LIG 1 3.221 0.582 0.269 0.00 0.00 +0.073 C ATOM 18 C LIG 1 3.663 -0.726 0.944 0.00 0.00 +0.037 C ATOM 19 C LIG 1 5.079 -0.656 1.528 0.00 0.00 +0.086 C ATOM 20 N LIG 1 5.952 0.121 0.643 0.00 0.00 -0.299 NA ATOM 21 C LIG 1 5.526 1.534 0.612 0.00 0.00 +0.086 C ATOM 22 C LIG 1 4.027 1.747 0.846 0.00 0.00 +0.037 C BRANCH 20 23 ATOM 23 C LIG 1 7.398 -0.031 0.947 0.00 0.00 +0.057 C ATOM 24 C LIG 1 8.323 0.807 0.026 0.00 0.00 +0.019 C ATOM 25 C LIG 1 8.561 0.207 -1.367 0.00 0.00 +0.002 C ATOM 26 C LIG 1 7.680 -0.992 -1.693 0.00 0.00 +0.000 C ATOM 27 C LIG 1 7.697 -2.057 -0.596 0.00 0.00 +0.002 C ATOM 28 C LIG 1 7.893 -1.487 0.813 0.00 0.00 +0.019 C ENDBRANCH 20 23 ENDBRANCH 15 17 ENDBRANCH 6 15 BRANCH 2 29 ATOM 29 O LIG 1 -4.639 1.268 0.859 0.00 0.00 -0.488 OA BRANCH 29 30 ATOM 30 C LIG 1 -5.669 0.376 0.425 0.00 0.00 +0.230 C BRANCH 30 31 ATOM 31 C LIG 1 -6.265 0.859 -0.891 0.00 0.00 +0.056 C BRANCH 31 32 ATOM 32 C LIG 1 -7.182 -0.150 -1.590 0.00 0.00 +0.087 C BRANCH 32 33 ATOM 33 N LIG 1 -8.407 -0.453 -0.844 0.00 0.00 -0.302 NA ATOM 34 C LIG 1 -8.289 -1.620 0.038 0.00 0.00 +0.084 C ATOM 35 C LIG 1 -9.736 -1.971 0.355 0.00 0.00 +0.017 C ATOM 36 C LIG 1 -10.545 -1.411 -0.807 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -9.514 -0.803 -1.743 0.00 0.00 +0.084 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 10