REMARK Name = BDB033644 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.211 1.458 0.402 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.269 2.479 -0.437 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -0.649 3.459 -1.113 0.00 0.00 +0.044 C ATOM 4 C LIG 1 1.651 2.585 -0.647 0.00 0.00 +0.004 A ATOM 5 C LIG 1 2.546 1.690 -0.051 0.00 0.00 +0.004 A ATOM 6 C LIG 1 2.094 0.642 0.763 0.00 0.00 -0.039 A ATOM 7 C LIG 1 0.712 0.581 1.012 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.688 1.274 0.719 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -2.948 -0.382 -1.766 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -3.762 0.760 -1.458 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -4.859 0.609 -0.673 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -4.914 0.087 0.616 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -6.137 0.067 1.315 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -7.296 0.580 0.736 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -7.239 1.129 -0.540 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -3.527 -0.550 1.503 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -3.658 -1.992 1.467 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -3.479 0.152 2.772 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.146 -0.135 0.637 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -6.026 1.151 -1.232 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -1.966 -0.822 -0.665 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -4.476 -2.513 -1.732 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -3.675 -1.503 -2.540 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 3.038 -0.351 1.448 0.00 0.00 +0.066 C BRANCH 24 25 ATOM 25 C LIG 1 4.473 -0.364 0.920 0.00 0.00 -0.002 A ATOM 26 S LIG 1 5.772 -0.008 1.988 0.00 0.00 -0.090 S ATOM 27 C LIG 1 6.952 -0.236 0.772 0.00 0.00 +0.055 A ATOM 28 C LIG 1 6.365 -0.576 -0.433 0.00 0.00 +0.019 A ATOM 29 C LIG 1 4.944 -0.639 -0.353 0.00 0.00 +0.012 A BRANCH 27 30 ATOM 30 C LIG 1 8.381 -0.079 1.021 0.00 0.00 +0.167 C ATOM 31 O LIG 1 9.219 -0.280 0.142 0.00 0.00 -0.292 OA ATOM 32 C LIG 1 8.845 0.348 2.397 0.00 0.00 +0.092 C ENDBRANCH 27 30 ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 2.518 -1.802 1.562 0.00 0.00 +0.133 C BRANCH 33 34 ATOM 34 C LIG 1 2.242 -2.468 0.233 0.00 0.00 +0.306 C ATOM 35 O LIG 1 1.224 -2.307 -0.424 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 3.237 -3.287 -0.183 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 4.017 -3.315 0.401 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 24 33 ENDBRANCH 6 24 TORSDOF 9