REMARK Name = BDB036098 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.123 2.743 -0.611 0.00 0.00 +0.186 A ATOM 2 C LIG 1 -3.240 2.540 -1.675 0.00 0.00 +0.167 A ATOM 3 N LIG 1 -3.456 3.089 -2.894 0.00 0.00 -0.217 NA ATOM 4 C LIG 1 -4.542 3.861 -3.032 0.00 0.00 +0.223 A ATOM 5 N LIG 1 -5.433 4.144 -2.077 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 -5.207 3.558 -0.884 0.00 0.00 +0.162 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -2.091 1.725 -1.527 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -1.062 1.606 -2.528 0.00 0.00 +0.115 C ATOM 9 C LIG 1 -0.135 1.098 -1.401 0.00 0.00 +0.004 C ATOM 10 C LIG 1 1.281 1.672 -1.438 0.00 0.00 +0.025 C ATOM 11 C LIG 1 2.055 1.208 -0.202 0.00 0.00 +0.085 C ATOM 12 N LIG 1 2.092 -0.253 -0.033 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 0.728 -0.809 -0.023 0.00 0.00 +0.085 C ATOM 14 C LIG 1 -0.105 -0.429 -1.250 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -1.126 1.842 -0.467 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 2.956 -0.953 -0.998 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 4.464 -0.635 -0.860 0.00 0.00 +0.006 C ATOM 18 C LIG 1 5.031 -0.839 0.571 0.00 0.00 -0.006 C ATOM 19 C LIG 1 6.486 -0.320 0.589 0.00 0.00 +0.011 C ATOM 20 C LIG 1 7.359 -1.107 -0.434 0.00 0.00 -0.019 C ATOM 21 C LIG 1 6.467 -2.168 -1.138 0.00 0.00 -0.004 C ATOM 22 C LIG 1 5.864 -3.124 -0.089 0.00 0.00 +0.004 C ATOM 23 C LIG 1 8.582 -1.752 0.257 0.00 0.00 +0.081 C ATOM 24 C LIG 1 9.603 -0.643 0.229 0.00 0.00 +0.134 C ATOM 25 O LIG 1 10.640 -0.653 0.880 0.00 0.00 -0.297 OA ATOM 26 C LIG 1 9.207 0.474 -0.695 0.00 0.00 +0.075 C ATOM 27 C LIG 1 8.031 -0.147 -1.442 0.00 0.00 +0.015 C ATOM 28 C LIG 1 5.053 -2.331 0.943 0.00 0.00 +0.004 C ATOM 29 C LIG 1 5.289 -1.482 -1.859 0.00 0.00 +0.009 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 30 ATOM 30 O LIG 1 -3.861 2.125 0.589 0.00 0.00 -0.450 OA BRANCH 30 32 ATOM 31 C LIG 1 -5.850 1.450 1.790 0.00 0.00 +0.082 A ATOM 32 C LIG 1 -4.744 2.294 1.623 0.00 0.00 +0.141 A ATOM 33 C LIG 1 -4.470 3.280 2.575 0.00 0.00 +0.050 A ATOM 34 C LIG 1 -5.332 3.447 3.660 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -6.450 2.626 3.791 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -7.274 2.800 4.832 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -6.724 1.628 2.864 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 -5.475 -0.804 0.831 0.00 0.00 -0.292 N ATOM 39 C LIG 1 -6.162 0.415 0.795 0.00 0.00 +0.251 C ATOM 40 O LIG 1 -7.032 0.715 -0.018 0.00 0.00 -0.270 OA BRANCH 38 42 ATOM 41 C LIG 1 -5.299 -1.260 -1.619 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -5.727 -1.788 -0.247 0.00 0.00 +0.070 C ATOM 43 C LIG 1 -7.170 -2.297 -0.261 0.00 0.00 +0.028 C ENDBRANCH 38 42 BRANCH 38 44 ATOM 44 C LIG 1 -4.534 -1.179 1.914 0.00 0.00 +0.070 C ATOM 45 C LIG 1 -3.124 -1.443 1.387 0.00 0.00 +0.028 C ATOM 46 C LIG 1 -5.060 -2.359 2.734 0.00 0.00 +0.028 C ENDBRANCH 38 44 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 8