REMARK Name = BDB036285 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.120 2.034 -0.236 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.414 2.259 1.103 0.00 0.00 -0.040 A ATOM 3 C LIG 1 -0.398 2.987 2.135 0.00 0.00 +0.036 C ATOM 4 C LIG 1 0.278 2.530 3.435 0.00 0.00 +0.009 C ATOM 5 C LIG 1 1.743 2.245 3.090 0.00 0.00 +0.036 C ATOM 6 C LIG 1 1.631 1.839 1.652 0.00 0.00 -0.044 A ATOM 7 C LIG 1 2.586 1.184 0.890 0.00 0.00 +0.008 A ATOM 8 C LIG 1 2.329 0.932 -0.465 0.00 0.00 -0.039 A ATOM 9 C LIG 1 1.090 1.363 -1.007 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.175 2.495 -0.862 0.00 0.00 +0.145 C BRANCH 10 17 ATOM 11 C LIG 1 -6.734 -0.049 1.341 0.00 0.00 +0.218 A ATOM 12 N LIG 1 -6.178 -0.329 0.144 0.00 0.00 -0.176 NA ATOM 13 C LIG 1 -5.301 0.569 -0.353 0.00 0.00 +0.245 A ATOM 14 O LIG 1 -4.844 0.257 -1.595 0.00 0.00 -0.470 OA ATOM 15 C LIG 1 -3.435 0.020 -1.765 0.00 0.00 +0.191 C ATOM 16 C LIG 1 -2.487 0.372 -0.596 0.00 0.00 +0.154 C ATOM 17 N LIG 1 -2.374 1.832 -0.286 0.00 0.00 -0.169 NA ATOM 18 S LIG 1 -3.772 2.787 -0.400 0.00 0.00 +0.066 S ATOM 19 O LIG 1 -3.579 3.921 0.481 0.00 0.00 -0.153 OA ATOM 20 O LIG 1 -4.072 2.993 -1.799 0.00 0.00 -0.153 OA ATOM 21 C LIG 1 -4.967 1.734 0.308 0.00 0.00 +0.167 A ATOM 22 C LIG 1 -5.546 2.011 1.544 0.00 0.00 +0.039 A ATOM 23 C LIG 1 -6.452 1.096 2.072 0.00 0.00 +0.069 A BRANCH 15 24 ATOM 24 C LIG 1 -3.267 -1.470 -2.123 0.00 0.00 +0.042 C ATOM 25 C LIG 1 -4.050 -1.870 -3.368 0.00 0.00 +0.007 C ENDBRANCH 15 24 BRANCH 11 26 ATOM 26 O LIG 1 -7.624 -0.931 1.917 0.00 0.00 -0.477 OA BRANCH 26 28 ATOM 27 C LIG 1 -6.971 -3.194 1.320 0.00 0.00 +0.048 C ATOM 28 C LIG 1 -7.962 -2.061 1.109 0.00 0.00 +0.227 C ENDBRANCH 26 28 ENDBRANCH 11 26 ENDBRANCH 10 17 ENDBRANCH 1 10 BRANCH 8 29 ATOM 29 C LIG 1 3.325 0.220 -1.392 0.00 0.00 +0.060 C BRANCH 29 30 ATOM 30 C LIG 1 4.344 -0.690 -0.677 0.00 0.00 -0.034 A ATOM 31 C LIG 1 5.592 -0.264 -0.135 0.00 0.00 -0.017 A ATOM 32 C LIG 1 6.090 1.151 -0.186 0.00 0.00 +0.046 C ATOM 33 C LIG 1 6.405 -1.252 0.477 0.00 0.00 +0.116 A ATOM 34 N LIG 1 7.645 -1.133 1.057 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 8.014 -2.325 1.503 0.00 0.00 -0.065 NA ATOM 36 N LIG 1 7.023 -3.185 1.215 0.00 0.00 -0.247 N ATOM 37 C LIG 1 7.160 -4.567 1.589 0.00 0.00 +0.175 C ATOM 38 C LIG 1 5.984 -2.571 0.569 0.00 0.00 +0.089 A ATOM 39 C LIG 1 4.761 -3.013 0.075 0.00 0.00 +0.030 A ATOM 40 C LIG 1 3.959 -2.049 -0.542 0.00 0.00 +0.007 A ENDBRANCH 29 30 BRANCH 29 41 ATOM 41 C LIG 1 3.888 1.183 -2.453 0.00 0.00 +0.133 C BRANCH 41 42 ATOM 42 C LIG 1 4.740 0.484 -3.473 0.00 0.00 +0.306 C ATOM 43 O LIG 1 5.874 0.794 -3.796 0.00 0.00 -0.251 OA BRANCH 42 44 ATOM 44 O LIG 1 4.106 -0.527 -4.097 0.00 0.00 -0.481 OA ATOM 45 H LIG 1 4.777 -0.862 -4.730 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 29 41 ENDBRANCH 8 29 TORSDOF 10