REMARK Name = BDB036282 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.810 -0.516 -1.287 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.358 -1.774 -1.675 0.00 0.00 -0.040 A ATOM 3 C LIG 1 1.143 -3.045 -1.821 0.00 0.00 +0.036 C ATOM 4 C LIG 1 0.177 -3.907 -2.644 0.00 0.00 +0.009 C ATOM 5 C LIG 1 -1.238 -3.445 -2.280 0.00 0.00 +0.036 C ATOM 6 C LIG 1 -0.996 -2.006 -1.942 0.00 0.00 -0.044 A ATOM 7 C LIG 1 -1.937 -0.995 -1.838 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -1.513 0.292 -1.468 0.00 0.00 -0.039 A ATOM 9 C LIG 1 -0.142 0.516 -1.198 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 2.266 -0.253 -0.971 0.00 0.00 +0.145 C BRANCH 10 22 ATOM 11 C LIG 1 3.952 -0.060 3.370 0.00 0.00 +0.053 C ATOM 12 C LIG 1 3.051 0.433 2.236 0.00 0.00 +0.186 C ATOM 13 O LIG 1 3.667 1.370 1.346 0.00 0.00 -0.486 OA ATOM 14 C LIG 1 4.901 1.080 0.845 0.00 0.00 +0.147 A ATOM 15 C LIG 1 5.353 -0.125 0.310 0.00 0.00 +0.147 A ATOM 16 C LIG 1 6.664 -0.225 -0.190 0.00 0.00 +0.032 A ATOM 17 C LIG 1 7.520 0.875 -0.164 0.00 0.00 +0.002 A ATOM 18 C LIG 1 7.066 2.085 0.347 0.00 0.00 +0.004 A ATOM 19 S LIG 1 4.350 -1.570 0.126 0.00 0.00 +0.065 S ATOM 20 O LIG 1 4.591 -2.082 -1.208 0.00 0.00 -0.153 OA ATOM 21 O LIG 1 4.587 -2.402 1.287 0.00 0.00 -0.153 OA ATOM 22 N LIG 1 2.756 -1.042 0.182 0.00 0.00 -0.169 NA ATOM 23 C LIG 1 5.764 2.186 0.839 0.00 0.00 +0.047 A ATOM 24 C LIG 1 2.231 -0.642 1.507 0.00 0.00 +0.154 C ENDBRANCH 10 22 ENDBRANCH 1 10 BRANCH 8 25 ATOM 25 C LIG 1 -2.505 1.449 -1.352 0.00 0.00 +0.062 C BRANCH 25 26 ATOM 26 C LIG 1 -3.512 1.205 -0.228 0.00 0.00 -0.002 A ATOM 27 C LIG 1 -4.790 0.662 -0.446 0.00 0.00 +0.156 A ATOM 28 F LIG 1 -5.199 0.366 -1.689 0.00 0.00 -0.203 F ATOM 29 C LIG 1 -5.658 0.440 0.634 0.00 0.00 +0.148 A ATOM 30 N LIG 1 -6.931 -0.065 0.675 0.00 0.00 -0.127 NA ATOM 31 N LIG 1 -7.328 -0.075 1.941 0.00 0.00 -0.065 NA ATOM 32 N LIG 1 -6.322 0.418 2.687 0.00 0.00 -0.247 N ATOM 33 C LIG 1 -6.490 0.526 4.111 0.00 0.00 +0.175 C ATOM 34 C LIG 1 -5.239 0.758 1.921 0.00 0.00 +0.092 A ATOM 35 C LIG 1 -3.978 1.292 2.193 0.00 0.00 +0.030 A ATOM 36 C LIG 1 -3.128 1.503 1.096 0.00 0.00 +0.009 A ENDBRANCH 25 26 BRANCH 25 37 ATOM 37 C LIG 1 -3.070 1.790 -2.741 0.00 0.00 +0.133 C BRANCH 37 38 ATOM 38 C LIG 1 -3.850 3.076 -2.696 0.00 0.00 +0.306 C ATOM 39 O LIG 1 -3.331 4.173 -2.551 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 -5.186 2.917 -2.807 0.00 0.00 -0.481 OA ATOM 41 H LIG 1 -5.481 1.984 -2.850 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 25 37 ENDBRANCH 8 25 TORSDOF 7