REMARK Name = BDB043770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.928 1.024 -0.303 0.00 0.00 +0.102 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 0.239 0.038 0.526 0.00 0.00 -0.310 N ATOM 3 H LIG 1 0.494 -0.022 1.506 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 -0.512 -0.975 -0.037 0.00 0.00 +0.221 C ATOM 5 O LIG 1 -0.614 -1.113 -1.252 0.00 0.00 -0.275 OA BRANCH 4 6 ATOM 6 C LIG 1 -1.219 -1.851 0.981 0.00 0.00 +0.172 C BRANCH 6 7 ATOM 7 C LIG 1 -2.469 -2.428 0.421 0.00 0.00 +0.147 A ATOM 8 N LIG 1 -3.480 -1.706 -0.168 0.00 0.00 -0.282 N ATOM 9 C LIG 1 -4.412 -2.633 -0.539 0.00 0.00 +0.183 A ATOM 10 C LIG 1 -5.609 -2.192 -1.201 0.00 0.00 +0.087 A ATOM 11 N LIG 1 -5.816 -0.918 -1.428 0.00 0.00 -0.246 NA ATOM 12 C LIG 1 -4.844 -0.004 -1.033 0.00 0.00 +0.088 A ATOM 13 N LIG 1 -4.037 -3.837 -0.184 0.00 0.00 -0.128 NA ATOM 14 C LIG 1 -3.703 -0.364 -0.408 0.00 0.00 +0.122 A ATOM 15 N LIG 1 -2.808 -3.708 0.427 0.00 0.00 -0.133 NA BRANCH 12 16 ATOM 16 C LIG 1 -5.100 1.428 -1.290 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.160 2.230 -1.953 0.00 0.00 +0.010 A ATOM 18 C LIG 1 -4.415 3.586 -2.177 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -5.618 4.147 -1.751 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.568 3.356 -1.108 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.316 2.000 -0.887 0.00 0.00 +0.010 A ENDBRANCH 12 16 BRANCH 10 22 ATOM 22 C LIG 1 -6.644 -3.213 -1.627 0.00 0.00 +0.062 C BRANCH 22 23 ATOM 23 C LIG 1 -7.881 -3.286 -0.715 0.00 0.00 -0.011 C ATOM 24 C LIG 1 -7.523 -3.595 0.740 0.00 0.00 +0.007 C ATOM 25 C LIG 1 -8.748 -2.028 -0.800 0.00 0.00 +0.007 C ENDBRANCH 22 23 ENDBRANCH 10 22 ENDBRANCH 6 7 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 26 ATOM 26 C LIG 1 2.204 0.435 -0.982 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 O LIG 1 2.669 1.367 -1.959 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 2.008 1.386 -2.675 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 3.339 0.144 0.010 0.00 0.00 +0.046 C BRANCH 29 30 ATOM 30 C LIG 1 4.336 -0.958 -0.432 0.00 0.00 +0.080 C BRANCH 30 33 ATOM 31 N LIG 1 5.713 -2.661 0.661 0.00 0.00 -0.315 N ATOM 32 H LIG 1 5.674 -3.126 -0.236 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 5.115 -1.427 0.808 0.00 0.00 +0.216 C ATOM 34 O LIG 1 5.194 -0.767 1.841 0.00 0.00 -0.276 OA BRANCH 31 35 ATOM 35 C LIG 1 6.558 -3.229 1.693 0.00 0.00 +0.104 C BRANCH 35 36 ATOM 36 C LIG 1 7.991 -2.708 1.588 0.00 0.00 +0.018 C BRANCH 36 38 ATOM 37 C LIG 1 9.092 -4.707 2.730 0.00 0.00 +0.004 C ATOM 38 C LIG 1 8.900 -3.199 2.716 0.00 0.00 -0.002 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 30 33 BRANCH 30 39 ATOM 39 C LIG 1 5.345 -0.620 -1.567 0.00 0.00 -0.005 C ATOM 40 C LIG 1 4.776 -0.892 -2.961 0.00 0.00 +0.008 C ATOM 41 C LIG 1 5.938 0.787 -1.478 0.00 0.00 +0.008 C ENDBRANCH 30 39 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 1 42 ATOM 42 C LIG 1 1.212 2.315 0.497 0.00 0.00 +0.028 C BRANCH 42 43 ATOM 43 C LIG 1 -0.044 3.001 1.089 0.00 0.00 -0.009 C ATOM 44 C LIG 1 -1.009 3.553 0.017 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -0.925 5.068 -0.133 0.00 0.00 +0.000 C ATOM 46 C LIG 1 -1.240 5.789 1.177 0.00 0.00 +0.000 C ATOM 47 C LIG 1 -0.751 5.040 2.417 0.00 0.00 +0.000 C ATOM 48 C LIG 1 0.394 4.091 2.088 0.00 0.00 +0.003 C ENDBRANCH 42 43 ENDBRANCH 1 42 TORSDOF 17