REMARK Name = BDB001376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.022 -1.593 0.507 0.00 0.00 +0.192 C ATOM 2 N LIG 1 -2.593 -0.443 -0.187 0.00 0.00 -0.261 N ATOM 3 C LIG 1 -3.443 -0.810 -1.212 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -4.104 -0.092 -1.936 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -3.393 -2.275 -1.308 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -4.029 -3.105 -2.210 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -3.794 -4.476 -2.095 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -2.941 -4.976 -1.093 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -2.306 -4.115 -0.192 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -2.540 -2.754 -0.312 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -2.515 -1.693 1.961 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -3.862 -1.446 2.297 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -4.309 -1.556 3.616 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -3.422 -1.922 4.625 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -2.090 -2.182 4.317 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -1.642 -2.073 2.998 0.00 0.00 +0.008 A ENDBRANCH 1 11 BRANCH 1 17 ATOM 17 O LIG 1 -0.601 -1.461 0.506 0.00 0.00 -0.343 OA BRANCH 17 18 ATOM 18 C LIG 1 0.068 -1.584 -0.744 0.00 0.00 +0.198 C BRANCH 18 22 ATOM 19 C LIG 1 3.569 1.018 -0.810 0.00 0.00 -0.042 A ATOM 20 C LIG 1 3.143 0.406 0.379 0.00 0.00 +0.004 A ATOM 21 C LIG 1 2.022 -0.432 0.406 0.00 0.00 +0.006 A ATOM 22 C LIG 1 1.279 -0.680 -0.753 0.00 0.00 -0.022 A ATOM 23 C LIG 1 1.709 -0.099 -1.950 0.00 0.00 +0.006 A ATOM 24 C LIG 1 2.832 0.736 -1.976 0.00 0.00 +0.004 A BRANCH 19 26 ATOM 25 C LIG 1 5.396 2.281 0.508 0.00 0.00 +0.015 C ATOM 26 C LIG 1 4.804 1.934 -0.877 0.00 0.00 -0.013 C ATOM 27 C LIG 1 5.908 1.230 -1.693 0.00 0.00 +0.015 C ATOM 28 C LIG 1 4.445 3.273 -1.559 0.00 0.00 +0.015 C ENDBRANCH 19 26 ENDBRANCH 18 22 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 29 ATOM 29 C LIG 1 -2.357 0.928 0.243 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 C LIG 1 -1.745 1.795 -0.864 0.00 0.00 +0.074 C BRANCH 30 31 ATOM 31 C LIG 1 -1.016 2.965 -0.305 0.00 0.00 +0.037 A ATOM 32 N LIG 1 0.336 2.955 -0.061 0.00 0.00 -0.348 N ATOM 33 H LIG 1 0.974 2.188 -0.229 0.00 0.00 +0.166 HD ATOM 34 C LIG 1 0.669 4.173 0.457 0.00 0.00 +0.196 A ATOM 35 N LIG 1 -0.378 4.959 0.556 0.00 0.00 -0.244 NA ATOM 36 C LIG 1 -1.431 4.221 0.081 0.00 0.00 +0.133 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 8