REMARK Name = BDB036303 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.459 -2.161 0.572 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.260 -3.003 -0.517 0.00 0.00 -0.040 A ATOM 3 C LIG 1 1.233 -3.908 -1.214 0.00 0.00 +0.036 C ATOM 4 C LIG 1 0.492 -4.221 -2.520 0.00 0.00 +0.009 C ATOM 5 C LIG 1 -1.002 -4.163 -2.193 0.00 0.00 +0.036 C ATOM 6 C LIG 1 -1.016 -3.167 -1.075 0.00 0.00 -0.044 A ATOM 7 C LIG 1 -2.123 -2.502 -0.572 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -1.967 -1.652 0.534 0.00 0.00 -0.039 A ATOM 9 C LIG 1 -0.678 -1.503 1.092 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 1.813 -1.937 1.211 0.00 0.00 +0.144 C BRANCH 10 13 ATOM 11 C LIG 1 2.767 1.685 0.474 0.00 0.00 +0.010 C ATOM 12 C LIG 1 1.930 0.405 0.323 0.00 0.00 +0.113 C ATOM 13 N LIG 1 2.667 -0.845 0.645 0.00 0.00 -0.172 NA ATOM 14 S LIG 1 3.873 -1.350 -0.439 0.00 0.00 +0.063 S ATOM 15 O LIG 1 4.304 -2.676 -0.043 0.00 0.00 -0.153 OA ATOM 16 O LIG 1 3.434 -1.090 -1.792 0.00 0.00 -0.153 OA ATOM 17 C LIG 1 5.226 -0.270 -0.094 0.00 0.00 +0.127 A ATOM 18 C LIG 1 5.108 1.105 -0.235 0.00 0.00 +0.068 A ATOM 19 N LIG 1 6.150 1.942 0.033 0.00 0.00 -0.258 NA ATOM 20 C LIG 1 7.323 1.397 0.426 0.00 0.00 +0.111 A ATOM 21 C LIG 1 7.520 0.039 0.581 0.00 0.00 +0.022 A ATOM 22 C LIG 1 6.451 -0.809 0.317 0.00 0.00 +0.032 A ATOM 23 C LIG 1 3.831 1.791 -0.630 0.00 0.00 +0.062 C BRANCH 11 25 ATOM 24 C LIG 1 2.457 4.197 0.920 0.00 0.00 +0.004 C ATOM 25 C LIG 1 1.812 2.904 0.438 0.00 0.00 +0.002 C ENDBRANCH 11 25 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 8 26 ATOM 26 C LIG 1 -3.201 -0.911 1.061 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 -3.540 0.320 0.201 0.00 0.00 -0.034 A ATOM 28 C LIG 1 -4.829 0.486 -0.383 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -5.924 -0.527 -0.202 0.00 0.00 +0.046 C ATOM 30 C LIG 1 -5.049 1.650 -1.154 0.00 0.00 +0.116 A ATOM 31 N LIG 1 -6.172 2.063 -1.828 0.00 0.00 -0.129 NA ATOM 32 N LIG 1 -5.906 3.223 -2.411 0.00 0.00 -0.065 NA ATOM 33 N LIG 1 -4.633 3.539 -2.115 0.00 0.00 -0.247 N ATOM 34 C LIG 1 -4.074 4.759 -2.632 0.00 0.00 +0.175 C ATOM 35 C LIG 1 -4.042 2.593 -1.321 0.00 0.00 +0.089 A ATOM 36 C LIG 1 -2.777 2.464 -0.751 0.00 0.00 +0.030 A ATOM 37 C LIG 1 -2.553 1.314 0.012 0.00 0.00 +0.007 A ENDBRANCH 26 27 BRANCH 26 38 ATOM 38 C LIG 1 -3.165 -0.499 2.542 0.00 0.00 +0.133 C BRANCH 38 39 ATOM 39 C LIG 1 -3.123 -1.708 3.430 0.00 0.00 +0.306 C ATOM 40 O LIG 1 -3.925 -2.626 3.444 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 -2.076 -1.697 4.278 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 -2.178 -2.530 4.786 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 26 38 ENDBRANCH 8 26 TORSDOF 8