REMARK Name = BDB058492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.079 -1.500 -0.262 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.149 -0.133 -0.500 0.00 0.00 +0.027 A ATOM 3 S LIG 1 1.356 0.638 -0.206 0.00 0.00 -0.091 S ATOM 4 C LIG 1 2.116 -0.832 0.221 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.238 -1.893 0.142 0.00 0.00 +0.021 A ENDROOT BRANCH 1 8 ATOM 6 C LIG 1 -3.552 -2.971 0.049 0.00 0.00 -0.017 A ATOM 7 C LIG 1 -2.429 -2.148 0.234 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.221 -2.394 -0.435 0.00 0.00 -0.016 A ATOM 9 C LIG 1 -1.118 -3.506 -1.275 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -2.216 -4.346 -1.459 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -3.422 -4.076 -0.807 0.00 0.00 +0.008 A BRANCH 6 15 ATOM 12 C LIG 1 -7.261 -2.072 2.019 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -6.583 -1.078 1.319 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -5.378 -1.374 0.676 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -4.827 -2.667 0.724 0.00 0.00 -0.018 A ATOM 16 C LIG 1 -5.528 -3.654 1.437 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -6.734 -3.360 2.079 0.00 0.00 +0.001 A ENDBRANCH 6 15 ENDBRANCH 1 8 BRANCH 2 18 ATOM 18 C LIG 1 -1.272 0.685 -0.970 0.00 0.00 -0.010 A ATOM 19 C LIG 1 -1.897 1.602 -0.111 0.00 0.00 +0.017 A ATOM 20 C LIG 1 -3.011 2.353 -0.528 0.00 0.00 -0.017 A ATOM 21 C LIG 1 -3.478 2.169 -1.839 0.00 0.00 +0.008 A ATOM 22 C LIG 1 -2.861 1.263 -2.704 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -1.764 0.521 -2.269 0.00 0.00 +0.009 A BRANCH 20 24 ATOM 24 C LIG 1 -3.675 3.293 0.390 0.00 0.00 -0.018 A ATOM 25 C LIG 1 -5.059 3.220 0.624 0.00 0.00 +0.008 A ATOM 26 C LIG 1 -5.690 4.109 1.498 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -4.947 5.088 2.154 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -3.575 5.178 1.936 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -2.945 4.288 1.062 0.00 0.00 +0.008 A ENDBRANCH 20 24 ENDBRANCH 2 18 BRANCH 4 30 ATOM 30 C LIG 1 3.564 -0.854 0.612 0.00 0.00 +0.123 C BRANCH 30 31 ATOM 31 N LIG 1 4.366 -1.338 -0.511 0.00 0.00 -0.311 NA ATOM 32 H LIG 1 4.199 -0.736 -1.316 0.00 0.00 +0.122 HD BRANCH 31 33 ATOM 33 C LIG 1 5.794 -1.409 -0.208 0.00 0.00 +0.084 C BRANCH 33 34 ATOM 34 C LIG 1 6.514 -0.050 -0.117 0.00 0.00 +0.005 C ATOM 35 C LIG 1 6.384 0.781 -1.411 0.00 0.00 +0.020 C ATOM 36 C LIG 1 7.625 1.627 -1.708 0.00 0.00 +0.081 C ATOM 37 N LIG 1 8.212 2.170 -0.487 0.00 0.00 -0.316 NA ATOM 38 H LIG 1 7.501 2.712 0.005 0.00 0.00 +0.122 HD ATOM 39 C LIG 1 8.702 1.109 0.398 0.00 0.00 +0.081 C ATOM 40 C LIG 1 7.996 -0.242 0.231 0.00 0.00 +0.020 C ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 8