REMARK Name = BDB016024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.200 2.353 -0.398 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.202 1.480 -0.162 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.048 1.945 0.005 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -1.311 3.317 -0.034 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -0.220 4.131 -0.284 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.036 3.683 -0.474 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.058 -0.145 -0.804 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.782 0.408 -0.607 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.556 1.801 -0.598 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.672 2.633 -0.793 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.950 2.101 -0.986 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.141 0.720 -0.991 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 5.759 -4.721 -1.731 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.990 -3.605 -1.236 0.00 0.00 -0.274 N ATOM 15 N LIG 1 3.926 -3.834 -0.446 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 3.467 -2.608 -0.182 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.228 -1.589 -0.805 0.00 0.00 +0.020 A ATOM 18 C LIG 1 5.210 -2.281 -1.484 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.620 3.911 0.152 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -3.479 3.631 1.194 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.575 4.422 1.010 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.751 4.486 1.844 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.489 5.208 -0.079 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.295 4.904 -0.593 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.086 1.035 0.247 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -2.881 1.287 -0.337 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.877 -0.417 0.302 0.00 0.00 +0.034 C ATOM 28 C LIG 1 -0.941 -0.842 1.457 0.00 0.00 +0.027 C ATOM 29 C LIG 1 -0.842 -2.373 1.542 0.00 0.00 +0.024 C ATOM 30 C LIG 1 -1.707 -3.033 0.450 0.00 0.00 +0.017 C ATOM 31 C LIG 1 -1.231 -2.534 -0.930 0.00 0.00 +0.024 C ATOM 32 C LIG 1 -3.166 -2.589 0.654 0.00 0.00 +0.024 C ATOM 33 C LIG 1 -1.386 -1.009 -1.037 0.00 0.00 +0.027 C ATOM 34 C LIG 1 -3.264 -1.059 0.596 0.00 0.00 +0.027 C BRANCH 30 35 ATOM 35 N LIG 1 -1.604 -4.484 0.540 0.00 0.00 -0.325 NA ATOM 36 H LIG 1 -0.633 -4.774 0.413 0.00 0.00 +0.119 HD ATOM 37 H LIG 1 -2.127 -4.922 -0.218 0.00 0.00 +0.119 HD ENDBRANCH 30 35 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 6