REMARK Name = BDB032087 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.720 -0.252 -1.364 0.00 0.00 +0.012 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.636 -0.838 -0.972 0.00 0.00 +0.077 C BRANCH 2 8 ATOM 3 N LIG 1 -2.300 0.316 -2.446 0.00 0.00 -0.280 N ATOM 4 C LIG 1 -3.293 1.252 -2.273 0.00 0.00 +0.347 A ATOM 5 O LIG 1 -4.082 1.654 -3.114 0.00 0.00 -0.245 OA ATOM 6 N LIG 1 -3.218 1.621 -0.932 0.00 0.00 -0.209 N ATOM 7 N LIG 1 -2.253 0.882 -0.286 0.00 0.00 -0.153 NA ATOM 8 C LIG 1 -1.756 0.132 -1.228 0.00 0.00 +0.134 A BRANCH 3 10 ATOM 9 C LIG 1 -3.019 -1.612 -3.790 0.00 0.00 +0.027 C ATOM 10 C LIG 1 -2.092 -0.411 -3.683 0.00 0.00 +0.125 C ENDBRANCH 3 10 BRANCH 6 11 ATOM 11 C LIG 1 -4.160 2.467 -0.241 0.00 0.00 +0.184 C BRANCH 11 12 ATOM 12 C LIG 1 -5.331 1.687 0.305 0.00 0.00 -0.026 A ATOM 13 C LIG 1 -5.279 1.123 1.582 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.359 0.387 2.079 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -7.524 0.180 1.316 0.00 0.00 -0.042 A ATOM 16 C LIG 1 -7.555 0.741 0.029 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -6.476 1.479 -0.471 0.00 0.00 +0.006 A BRANCH 15 18 ATOM 18 C LIG 1 -8.692 -0.637 1.895 0.00 0.00 -0.013 C ATOM 19 C LIG 1 -8.211 -2.063 2.237 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -9.213 0.045 3.179 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -9.893 -0.779 0.934 0.00 0.00 +0.015 C ENDBRANCH 15 18 ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 2 8 ENDBRANCH 1 2 BRANCH 1 22 ATOM 22 C LIG 1 1.181 0.850 -0.404 0.00 0.00 +0.035 C BRANCH 22 23 ATOM 23 C LIG 1 2.540 1.378 -0.792 0.00 0.00 -0.047 A ATOM 24 C LIG 1 3.707 0.751 -0.327 0.00 0.00 +0.012 A ATOM 25 C LIG 1 4.984 1.214 -0.689 0.00 0.00 -0.018 A ATOM 26 C LIG 1 5.065 2.328 -1.539 0.00 0.00 +0.008 A ATOM 27 C LIG 1 3.911 2.957 -2.013 0.00 0.00 +0.001 A ATOM 28 C LIG 1 2.655 2.482 -1.643 0.00 0.00 +0.003 A BRANCH 25 29 ATOM 29 C LIG 1 6.201 0.548 -0.195 0.00 0.00 -0.018 A ATOM 30 C LIG 1 6.390 -0.832 -0.359 0.00 0.00 +0.009 A ATOM 31 C LIG 1 7.548 -1.463 0.110 0.00 0.00 +0.005 A ATOM 32 C LIG 1 8.566 -0.743 0.755 0.00 0.00 -0.031 A ATOM 33 C LIG 1 8.365 0.635 0.926 0.00 0.00 +0.005 A ATOM 34 C LIG 1 7.208 1.270 0.458 0.00 0.00 +0.009 A BRANCH 32 35 ATOM 35 C LIG 1 9.823 -1.434 1.273 0.00 0.00 +0.092 C ATOM 36 C LIG 1 10.650 -2.259 0.289 0.00 0.00 +0.024 C ATOM 37 C LIG 1 11.170 -0.936 0.752 0.00 0.00 +0.024 C BRANCH 35 38 ATOM 38 C LIG 1 9.769 -1.888 2.696 0.00 0.00 +0.315 C ATOM 39 O LIG 1 10.079 -1.197 3.653 0.00 0.00 -0.250 OA BRANCH 38 40 ATOM 40 O LIG 1 9.340 -3.159 2.844 0.00 0.00 -0.480 OA ATOM 41 H LIG 1 9.348 -3.290 3.814 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 35 38 ENDBRANCH 32 35 ENDBRANCH 25 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 12