REMARK Name = BDB013482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.800 1.641 -0.477 0.00 0.00 +0.060 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.394 3.102 -0.195 0.00 0.00 -0.034 A ATOM 3 C LIG 1 -0.182 3.636 -0.731 0.00 0.00 -0.017 A ATOM 4 C LIG 1 0.750 2.819 -1.584 0.00 0.00 +0.046 C ATOM 5 C LIG 1 0.141 4.977 -0.416 0.00 0.00 +0.116 A ATOM 6 N LIG 1 1.226 5.736 -0.786 0.00 0.00 -0.129 NA ATOM 7 N LIG 1 1.096 6.940 -0.248 0.00 0.00 -0.065 NA ATOM 8 N LIG 1 -0.051 6.944 0.453 0.00 0.00 -0.247 N ATOM 9 C LIG 1 -0.441 8.139 1.153 0.00 0.00 +0.175 C ATOM 10 C LIG 1 -0.697 5.739 0.387 0.00 0.00 +0.089 A ATOM 11 C LIG 1 -1.882 5.246 0.928 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -2.205 3.919 0.624 0.00 0.00 +0.007 A ENDBRANCH 1 2 BRANCH 1 17 ATOM 13 C LIG 1 1.034 -2.136 2.996 0.00 0.00 +0.044 C ATOM 14 C LIG 1 0.300 -1.215 2.063 0.00 0.00 -0.046 A ATOM 15 C LIG 1 0.440 -1.277 0.662 0.00 0.00 -0.028 A ATOM 16 C LIG 1 -0.265 -0.346 -0.128 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -1.073 0.654 0.436 0.00 0.00 -0.039 A ATOM 18 C LIG 1 -1.193 0.702 1.827 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -0.517 -0.219 2.626 0.00 0.00 +0.004 A BRANCH 15 20 ATOM 20 C LIG 1 1.355 -2.262 -0.046 0.00 0.00 +0.144 C BRANCH 20 21 ATOM 21 N LIG 1 2.755 -1.764 -0.121 0.00 0.00 -0.171 NA ATOM 22 S LIG 1 3.235 -1.287 -1.696 0.00 0.00 +0.063 S ATOM 23 O LIG 1 3.740 -2.451 -2.396 0.00 0.00 -0.153 OA ATOM 24 O LIG 1 2.127 -0.543 -2.268 0.00 0.00 -0.153 OA ATOM 25 C LIG 1 4.556 -0.126 -1.438 0.00 0.00 +0.126 A ATOM 26 C LIG 1 5.743 -0.495 -0.782 0.00 0.00 +0.056 A ATOM 27 C LIG 1 6.757 0.481 -0.711 0.00 0.00 +0.025 A ATOM 28 C LIG 1 6.594 1.764 -1.246 0.00 0.00 +0.002 A ATOM 29 C LIG 1 5.408 2.108 -1.877 0.00 0.00 +0.002 A ATOM 30 N LIG 1 5.906 -1.757 -0.192 0.00 0.00 -0.330 N ATOM 31 C LIG 1 7.259 -2.289 -0.051 0.00 0.00 +0.129 C ATOM 32 C LIG 1 5.016 -1.961 0.965 0.00 0.00 +0.122 C ATOM 33 C LIG 1 4.392 1.164 -1.979 0.00 0.00 +0.030 A ATOM 34 C LIG 1 3.721 -2.672 0.565 0.00 0.00 +0.128 C ENDBRANCH 20 21 ENDBRANCH 15 20 ENDBRANCH 1 17 BRANCH 1 35 ATOM 35 C LIG 1 -3.320 1.385 -0.450 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 -3.632 0.042 -1.057 0.00 0.00 +0.308 C ATOM 37 O LIG 1 -3.543 -0.207 -2.251 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -4.000 -0.843 -0.093 0.00 0.00 -0.460 OA BRANCH 38 39 ATOM 39 C LIG 1 -4.218 -2.196 -0.533 0.00 0.00 +0.190 C ATOM 40 C LIG 1 -5.620 -2.347 -1.167 0.00 0.00 +0.128 C ATOM 41 N LIG 1 -6.166 -3.718 -1.210 0.00 0.00 -0.302 NA ATOM 42 C LIG 1 -7.321 -3.870 -0.327 0.00 0.00 +0.105 C ATOM 43 C LIG 1 -5.138 -4.731 -0.958 0.00 0.00 +0.084 C ATOM 44 C LIG 1 -4.404 -4.554 0.376 0.00 0.00 +0.019 C ATOM 45 C LIG 1 -4.093 -3.093 0.698 0.00 0.00 +0.047 C ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 8