REMARK Name = BDB049997 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.409 -0.283 0.859 0.00 0.00 +0.159 C ATOM 2 C LIG 1 0.870 -0.363 0.814 0.00 0.00 +0.237 C ATOM 3 O LIG 1 0.267 -1.229 1.463 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 0.182 0.553 0.058 0.00 0.00 -0.285 N ATOM 5 C LIG 1 0.700 1.746 -0.630 0.00 0.00 +0.080 C ATOM 6 C LIG 1 -0.523 2.691 -0.549 0.00 0.00 +0.016 C ATOM 7 C LIG 1 -1.707 1.740 -0.759 0.00 0.00 +0.037 C ATOM 8 C LIG 1 1.158 1.349 -2.044 0.00 0.00 +0.023 C ATOM 9 C LIG 1 2.671 1.347 -2.262 0.00 0.00 +0.002 C ATOM 10 C LIG 1 3.561 0.766 -1.164 0.00 0.00 +0.002 C ATOM 11 C LIG 1 -1.280 0.474 -0.010 0.00 0.00 +0.163 C ATOM 12 C LIG 1 3.057 -0.525 -0.514 0.00 0.00 +0.032 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.054 -1.309 2.429 0.00 0.00 +0.230 C ATOM 14 N LIG 1 2.826 -1.313 1.813 0.00 0.00 -0.303 N ATOM 15 H LIG 1 2.104 -1.972 2.100 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 4.911 -0.457 2.203 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 4.247 -2.459 3.438 0.00 0.00 +0.137 C ATOM 18 C LIG 1 3.696 -2.021 4.791 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 6.210 -3.447 2.385 0.00 0.00 +0.101 C ATOM 20 N LIG 1 5.677 -2.817 3.587 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 6.197 -1.943 3.747 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 11 22 ATOM 22 C LIG 1 -1.763 -0.772 -0.781 0.00 0.00 +0.234 C ATOM 23 N LIG 1 -3.035 -1.179 -0.440 0.00 0.00 -0.307 N ATOM 24 H LIG 1 -3.476 -0.789 0.384 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 -1.111 -1.313 -1.671 0.00 0.00 -0.274 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.615 -2.387 -1.011 0.00 0.00 +0.103 C ATOM 27 C LIG 1 -4.659 -2.934 -0.054 0.00 0.00 -0.024 A ATOM 28 C LIG 1 -6.038 -2.797 -0.301 0.00 0.00 -0.042 A ATOM 29 C LIG 1 -6.957 -3.310 0.628 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -6.524 -3.933 1.789 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.162 -4.060 2.039 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.557 -2.181 -1.577 0.00 0.00 +0.035 C ATOM 33 C LIG 1 -5.516 -1.359 -2.330 0.00 0.00 +0.007 C ATOM 34 C LIG 1 -4.233 -3.563 1.126 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -4.190 -2.120 -2.412 0.00 0.00 +0.027 C ENDBRANCH 23 26 ENDBRANCH 11 22 BRANCH 6 36 ATOM 36 C LIG 1 -0.568 3.914 -1.470 0.00 0.00 +0.040 C BRANCH 36 37 ATOM 37 C LIG 1 0.608 4.844 -1.280 0.00 0.00 -0.047 A ATOM 38 C LIG 1 0.778 5.553 -0.083 0.00 0.00 +0.003 A ATOM 39 C LIG 1 1.879 6.394 0.094 0.00 0.00 +0.000 A ATOM 40 C LIG 1 2.816 6.539 -0.925 0.00 0.00 +0.000 A ATOM 41 C LIG 1 2.650 5.849 -2.123 0.00 0.00 +0.000 A ATOM 42 C LIG 1 1.549 5.010 -2.302 0.00 0.00 +0.003 A ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 7