REMARK Name = BDB043038 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.963 2.712 -1.773 0.00 0.00 +0.019 A ATOM 2 C LIG 1 0.992 1.626 -0.918 0.00 0.00 +0.163 A ATOM 3 N LIG 1 -0.336 1.336 -0.574 0.00 0.00 -0.200 N ATOM 4 C LIG 1 -0.637 0.257 0.303 0.00 0.00 +0.126 A ATOM 5 C LIG 1 0.397 -0.457 0.784 0.00 0.00 +0.087 A ATOM 6 C LIG 1 1.792 -0.086 0.375 0.00 0.00 +0.124 A ATOM 7 N LIG 1 -1.195 2.204 -1.194 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 2.048 0.906 -0.439 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 -0.407 3.015 -1.897 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 2.074 3.307 -3.938 0.00 0.00 +0.012 C ATOM 11 C LIG 1 2.131 3.399 -2.412 0.00 0.00 +0.018 C ATOM 12 C LIG 1 2.240 4.859 -1.967 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 2.830 -0.837 0.889 0.00 0.00 -0.329 N ATOM 14 H LIG 1 2.618 -1.381 1.717 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 4.218 -0.403 0.790 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 5.164 -1.552 1.176 0.00 0.00 +0.037 C ATOM 17 C LIG 1 6.630 -1.092 1.185 0.00 0.00 +0.133 C ATOM 18 C LIG 1 7.584 -2.253 1.555 0.00 0.00 +0.112 C ATOM 19 N LIG 1 7.074 -3.592 1.241 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 7.859 -4.234 1.132 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 6.266 -3.576 0.029 0.00 0.00 +0.081 C ATOM 22 C LIG 1 4.984 -2.771 0.244 0.00 0.00 +0.023 C BRANCH 17 23 ATOM 23 O LIG 1 6.808 -0.014 2.103 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 6.613 -0.349 2.997 0.00 0.00 +0.210 HD ENDBRANCH 17 23 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 25 ATOM 25 N LIG 1 -1.950 -0.052 0.661 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -2.091 -0.961 1.102 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.165 0.390 -0.017 0.00 0.00 +0.160 C BRANCH 27 28 ATOM 28 C LIG 1 -4.404 -0.351 0.407 0.00 0.00 +0.080 A ATOM 29 C LIG 1 -5.732 0.009 0.280 0.00 0.00 +0.051 A ATOM 30 N LIG 1 -6.458 -1.003 0.861 0.00 0.00 -0.303 N ATOM 31 C LIG 1 -5.536 -1.957 1.286 0.00 0.00 +0.138 A ATOM 32 C LIG 1 -6.053 -3.125 1.916 0.00 0.00 +0.047 A ATOM 33 C LIG 1 -7.383 -3.261 2.088 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -8.316 -2.237 1.643 0.00 0.00 +0.018 A ATOM 35 C LIG 1 -7.834 -1.136 1.041 0.00 0.00 +0.093 A ATOM 36 N LIG 1 -4.300 -1.589 1.026 0.00 0.00 -0.231 NA BRANCH 29 37 ATOM 37 C LIG 1 -6.279 1.321 -0.340 0.00 0.00 +0.038 C ATOM 38 C LIG 1 -5.842 1.721 -1.726 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -7.244 1.244 -1.494 0.00 0.00 +0.010 C ENDBRANCH 29 37 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 9