REMARK Name = BDB023421 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.597 -0.394 -1.154 0.00 0.00 +0.162 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -0.398 -2.099 0.194 0.00 0.00 +0.401 C ATOM 3 N LIG 1 -1.026 -0.904 0.079 0.00 0.00 -0.270 N ATOM 4 H LIG 1 -1.167 -0.370 0.931 0.00 0.00 +0.153 HD ATOM 5 O LIG 1 -0.183 -2.873 -0.727 0.00 0.00 -0.226 OA BRANCH 2 7 ATOM 6 C LIG 1 0.694 -3.491 1.718 0.00 0.00 +0.282 C ATOM 7 O LIG 1 -0.029 -2.284 1.481 0.00 0.00 -0.454 OA ENDBRANCH 2 7 ENDBRANCH 1 3 BRANCH 1 8 ATOM 8 C LIG 1 -2.599 0.732 -0.809 0.00 0.00 +0.238 C ATOM 9 N LIG 1 -3.390 1.106 -1.884 0.00 0.00 -0.284 N ATOM 10 H LIG 1 -3.324 0.539 -2.720 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -2.646 1.206 0.325 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -4.346 2.144 -1.925 0.00 0.00 +0.034 A ATOM 13 C LIG 1 -4.545 3.063 -0.890 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -5.518 4.066 -0.996 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -6.277 4.162 -2.167 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -6.079 3.258 -3.209 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -5.119 2.254 -3.087 0.00 0.00 +0.023 A BRANCH 14 18 ATOM 18 S LIG 1 -5.803 5.271 0.293 0.00 0.00 -0.129 S ATOM 19 C LIG 1 -5.768 4.210 1.768 0.00 0.00 +0.090 C ENDBRANCH 14 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.544 0.060 -2.183 0.00 0.00 +0.032 C BRANCH 20 21 ATOM 21 C LIG 1 0.298 1.294 -1.817 0.00 0.00 +0.003 C BRANCH 21 22 ATOM 22 C LIG 1 1.263 1.147 -0.635 0.00 0.00 +0.009 C BRANCH 22 23 ATOM 23 C LIG 1 2.320 0.062 -0.840 0.00 0.00 +0.096 C BRANCH 23 24 ATOM 24 C LIG 1 3.174 -0.158 0.400 0.00 0.00 +0.217 C ATOM 25 N LIG 1 3.921 -1.313 0.291 0.00 0.00 -0.284 N ATOM 26 H LIG 1 3.851 -1.863 -0.561 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 3.174 0.624 1.345 0.00 0.00 -0.275 OA BRANCH 25 28 ATOM 28 C LIG 1 4.826 -1.862 1.220 0.00 0.00 +0.054 A ATOM 29 C LIG 1 5.428 -3.083 0.844 0.00 0.00 +0.046 A ATOM 30 C LIG 1 6.300 -3.723 1.730 0.00 0.00 +0.024 A ATOM 31 C LIG 1 6.630 -3.123 2.945 0.00 0.00 +0.002 A ATOM 32 C LIG 1 6.062 -1.899 3.298 0.00 0.00 +0.002 A ATOM 33 C LIG 1 5.156 -1.271 2.440 0.00 0.00 +0.025 A BRANCH 29 34 ATOM 34 N LIG 1 4.972 -3.761 -0.320 0.00 0.00 -0.357 N ATOM 35 H LIG 1 4.101 -4.247 -0.102 0.00 0.00 +0.142 HD ATOM 36 H LIG 1 5.655 -4.449 -0.633 0.00 0.00 +0.142 HD ENDBRANCH 29 34 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 12