REMARK Name = BDB038607 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.900 -0.814 0.966 0.00 0.00 +0.129 A ATOM 2 N LIG 1 2.494 -1.437 2.012 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 3.765 -1.895 1.906 0.00 0.00 +0.047 A ATOM 4 C LIG 1 4.481 -1.700 0.727 0.00 0.00 +0.032 A ATOM 5 C LIG 1 3.902 -1.020 -0.350 0.00 0.00 -0.012 A ATOM 6 C LIG 1 2.580 -0.586 -0.220 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -3.816 1.091 1.303 0.00 0.00 -0.030 A ATOM 8 C LIG 1 -2.732 0.955 0.421 0.00 0.00 +0.018 A ATOM 9 C LIG 1 -1.564 0.397 0.912 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -0.295 0.145 0.217 0.00 0.00 +0.253 C ATOM 11 N LIG 1 0.566 -0.409 1.154 0.00 0.00 -0.248 N ATOM 12 C LIG 1 -0.071 -0.590 2.451 0.00 0.00 +0.154 C ATOM 13 O LIG 1 -0.139 0.393 -0.963 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -1.430 -0.033 2.225 0.00 0.00 +0.018 A ATOM 15 C LIG 1 -2.489 0.087 3.093 0.00 0.00 +0.129 A ATOM 16 F LIG 1 -2.378 -0.328 4.360 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -3.684 0.646 2.640 0.00 0.00 +0.043 A BRANCH 7 18 ATOM 18 C LIG 1 -5.124 1.676 0.825 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 N LIG 1 -6.122 0.628 0.673 0.00 0.00 -0.307 NA ATOM 20 H LIG 1 -5.779 -0.099 0.038 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 -7.407 1.113 0.139 0.00 0.00 +0.079 C ATOM 22 C LIG 1 -8.496 0.330 0.884 0.00 0.00 +0.026 C BRANCH 21 23 ATOM 23 C LIG 1 -7.564 0.896 -1.399 0.00 0.00 +0.131 C ATOM 24 C LIG 1 -6.665 1.825 -2.214 0.00 0.00 +0.039 C BRANCH 23 26 ATOM 25 C LIG 1 -7.759 -0.920 -2.945 0.00 0.00 +0.194 C ATOM 26 O LIG 1 -7.247 -0.475 -1.697 0.00 0.00 -0.379 OA ENDBRANCH 23 26 ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 27 ATOM 27 C LIG 1 4.667 -0.784 -1.589 0.00 0.00 -0.007 A ATOM 28 C LIG 1 4.989 0.508 -2.070 0.00 0.00 +0.028 A ATOM 29 C LIG 1 5.672 0.647 -3.294 0.00 0.00 +0.031 A ATOM 30 C LIG 1 6.064 -0.473 -4.031 0.00 0.00 +0.052 A ATOM 31 C LIG 1 5.769 -1.748 -3.552 0.00 0.00 +0.019 A ATOM 32 C LIG 1 5.076 -1.900 -2.349 0.00 0.00 +0.010 A BRANCH 28 33 ATOM 33 C LIG 1 4.622 1.742 -1.373 0.00 0.00 +0.164 A ATOM 34 N LIG 1 5.044 2.150 -0.131 0.00 0.00 -0.317 N ATOM 35 C LIG 1 5.976 1.516 0.760 0.00 0.00 +0.152 C ATOM 36 C LIG 1 4.460 3.360 0.095 0.00 0.00 +0.225 A ATOM 37 N LIG 1 3.751 3.707 -0.951 0.00 0.00 -0.138 NA ATOM 38 N LIG 1 3.867 2.701 -1.879 0.00 0.00 -0.129 NA ENDBRANCH 28 33 BRANCH 30 39 ATOM 39 C LIG 1 6.769 -0.313 -5.269 0.00 0.00 +0.099 C ATOM 40 N LIG 1 7.353 -0.195 -6.265 0.00 0.00 -0.191 NA ENDBRANCH 30 39 ENDBRANCH 5 27 BRANCH 3 41 ATOM 41 C LIG 1 4.334 -2.602 3.122 0.00 0.00 +0.038 C ATOM 42 C LIG 1 5.283 -3.769 2.997 0.00 0.00 +0.010 C ATOM 43 C LIG 1 5.782 -2.454 3.525 0.00 0.00 +0.010 C ENDBRANCH 3 41 TORSDOF 10