REMARK Name = BDB003707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.621 -0.382 -0.239 0.00 0.00 +0.131 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 3.413 0.370 -1.610 0.00 0.00 +0.146 A ATOM 3 C LIG 1 3.063 0.644 -0.288 0.00 0.00 +0.147 A ATOM 4 C LIG 1 1.755 0.405 0.159 0.00 0.00 +0.036 A ATOM 5 C LIG 1 0.798 -0.139 -0.710 0.00 0.00 -0.037 A ATOM 6 C LIG 1 1.166 -0.432 -2.030 0.00 0.00 +0.008 A ATOM 7 C LIG 1 2.467 -0.187 -2.475 0.00 0.00 +0.048 A BRANCH 3 8 ATOM 8 S LIG 1 4.248 1.315 0.845 0.00 0.00 +0.064 S ATOM 9 O LIG 1 3.659 1.315 2.170 0.00 0.00 -0.153 OA ATOM 10 O LIG 1 4.769 2.539 0.274 0.00 0.00 -0.153 OA BRANCH 8 11 ATOM 11 N LIG 1 5.496 0.153 0.876 0.00 0.00 -0.172 NA ATOM 12 C LIG 1 6.735 0.638 1.560 0.00 0.00 +0.137 C ATOM 13 C LIG 1 7.849 -0.402 1.395 0.00 0.00 +0.177 C ATOM 14 O LIG 1 7.457 -1.678 1.925 0.00 0.00 -0.377 OA ATOM 15 C LIG 1 6.286 -2.158 1.247 0.00 0.00 +0.177 C ATOM 16 C LIG 1 5.111 -1.187 1.414 0.00 0.00 +0.137 C ENDBRANCH 8 11 ENDBRANCH 3 8 BRANCH 2 18 ATOM 17 C LIG 1 4.758 1.694 -2.928 0.00 0.00 +0.277 C ATOM 18 O LIG 1 4.689 0.559 -2.062 0.00 0.00 -0.493 OA ENDBRANCH 2 18 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -1.575 0.758 -0.604 0.00 0.00 +0.224 C ATOM 20 N LIG 1 -2.877 0.415 -0.989 0.00 0.00 -0.267 N ATOM 21 O LIG 1 -1.177 1.927 -0.615 0.00 0.00 -0.275 OA BRANCH 20 22 ATOM 22 C LIG 1 -3.517 -0.813 -0.646 0.00 0.00 +0.037 A ATOM 23 C LIG 1 -4.319 -1.477 -1.581 0.00 0.00 +0.024 A ATOM 24 C LIG 1 -4.965 -2.672 -1.247 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -4.823 -3.221 0.031 0.00 0.00 -0.050 A ATOM 26 C LIG 1 -5.547 -4.481 0.403 0.00 0.00 +0.044 C ATOM 27 C LIG 1 -4.051 -2.542 0.978 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -3.402 -1.350 0.641 0.00 0.00 +0.024 A ENDBRANCH 20 22 BRANCH 20 29 ATOM 29 C LIG 1 -3.724 1.482 -1.542 0.00 0.00 +0.148 C BRANCH 29 30 ATOM 30 C LIG 1 -4.617 2.125 -0.501 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -4.129 3.154 0.317 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.944 3.736 1.288 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.254 3.294 1.457 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.750 2.267 0.655 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.936 1.684 -0.317 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 20 29 ENDBRANCH 1 19 TORSDOF 8