REMARK Name = BDB013535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.800 -2.477 4.163 0.00 0.00 +0.044 C ATOM 2 C LIG 1 0.575 -1.942 3.477 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.326 -2.168 2.112 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.862 -1.668 1.543 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -1.746 -0.849 2.256 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -1.467 -0.608 3.606 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.335 -1.164 4.211 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.303 -2.856 1.176 0.00 0.00 +0.145 C BRANCH 8 9 ATOM 9 N LIG 1 1.651 -1.960 0.051 0.00 0.00 -0.169 NA ATOM 10 S LIG 1 1.550 -2.608 -1.494 0.00 0.00 +0.065 S ATOM 11 O LIG 1 0.177 -3.036 -1.674 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 2.637 -3.540 -1.687 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 1.811 -1.182 -2.496 0.00 0.00 +0.148 A ATOM 14 C LIG 1 3.049 -0.543 -2.435 0.00 0.00 +0.147 A ATOM 15 C LIG 1 3.278 0.593 -3.206 0.00 0.00 +0.049 A ATOM 16 C LIG 1 2.252 1.111 -4.003 0.00 0.00 +0.022 A ATOM 17 C LIG 1 1.001 0.482 -4.047 0.00 0.00 +0.054 A ATOM 18 O LIG 1 4.085 -1.040 -1.708 0.00 0.00 -0.486 OA ATOM 19 C LIG 1 3.981 -0.906 -0.279 0.00 0.00 +0.186 C ATOM 20 C LIG 1 4.835 -2.007 0.349 0.00 0.00 +0.053 C ATOM 21 C LIG 1 0.779 -0.675 -3.293 0.00 0.00 +0.051 A ATOM 22 C LIG 1 2.579 -0.846 0.363 0.00 0.00 +0.154 C BRANCH 17 23 ATOM 23 C LIG 1 -0.044 1.021 -4.870 0.00 0.00 +0.099 C ATOM 24 N LIG 1 -0.878 1.445 -5.558 0.00 0.00 -0.191 NA ENDBRANCH 17 23 ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 25 ATOM 25 C LIG 1 -2.931 -0.161 1.575 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 -2.510 1.128 0.857 0.00 0.00 -0.037 A ATOM 27 C LIG 1 -1.487 1.130 -0.114 0.00 0.00 +0.036 A ATOM 28 C LIG 1 -1.120 2.331 -0.736 0.00 0.00 +0.113 A ATOM 29 N LIG 1 -0.152 2.591 -1.667 0.00 0.00 -0.129 NA ATOM 30 N LIG 1 -0.205 3.883 -1.965 0.00 0.00 -0.065 NA ATOM 31 N LIG 1 -1.197 4.425 -1.230 0.00 0.00 -0.247 N ATOM 32 C LIG 1 -1.520 5.818 -1.388 0.00 0.00 +0.175 C ATOM 33 C LIG 1 -1.796 3.500 -0.418 0.00 0.00 +0.089 A ATOM 34 C LIG 1 -2.832 3.545 0.520 0.00 0.00 +0.030 A ATOM 35 C LIG 1 -3.167 2.337 1.153 0.00 0.00 +0.006 A ENDBRANCH 25 26 BRANCH 25 36 ATOM 36 C LIG 1 -3.707 -1.103 0.640 0.00 0.00 +0.133 C BRANCH 36 37 ATOM 37 C LIG 1 -5.035 -0.534 0.233 0.00 0.00 +0.306 C ATOM 38 O LIG 1 -5.436 -0.386 -0.909 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 O LIG 1 -5.835 -0.236 1.275 0.00 0.00 -0.481 OA ATOM 40 H LIG 1 -6.662 0.072 0.845 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 25 36 ENDBRANCH 5 25 TORSDOF 8