REMARK Name = BDB013415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.348 0.239 -3.168 0.00 0.00 +0.044 C ATOM 2 C LIG 1 0.347 0.073 -2.058 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.710 0.165 -0.699 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.284 0.010 0.288 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -1.623 -0.247 -0.044 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -1.961 -0.351 -1.398 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.991 -0.189 -2.388 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 2.131 0.447 -0.241 0.00 0.00 +0.145 C BRANCH 8 9 ATOM 9 N LIG 1 2.624 -0.568 0.723 0.00 0.00 -0.169 NA ATOM 10 S LIG 1 3.641 -0.010 1.948 0.00 0.00 +0.065 S ATOM 11 O LIG 1 3.027 1.180 2.501 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 3.980 -1.130 2.800 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 5.134 0.498 1.137 0.00 0.00 +0.147 A ATOM 14 C LIG 1 5.577 -0.025 -0.080 0.00 0.00 +0.147 A ATOM 15 C LIG 1 6.716 0.530 -0.679 0.00 0.00 +0.047 A ATOM 16 C LIG 1 7.425 1.563 -0.065 0.00 0.00 +0.004 A ATOM 17 C LIG 1 6.992 2.068 1.156 0.00 0.00 +0.002 A ATOM 18 O LIG 1 5.002 -1.012 -0.830 0.00 0.00 -0.486 OA ATOM 19 C LIG 1 4.454 -2.111 -0.092 0.00 0.00 +0.186 C ATOM 20 C LIG 1 4.683 -3.367 -0.930 0.00 0.00 +0.053 C ATOM 21 C LIG 1 5.846 1.543 1.753 0.00 0.00 +0.032 A ATOM 22 C LIG 1 2.950 -1.889 0.120 0.00 0.00 +0.154 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 C LIG 1 -2.655 -0.443 1.067 0.00 0.00 +0.060 C BRANCH 23 24 ATOM 24 C LIG 1 -3.993 0.264 0.817 0.00 0.00 -0.037 A ATOM 25 C LIG 1 -5.231 -0.405 0.818 0.00 0.00 +0.036 A ATOM 26 C LIG 1 -6.414 0.324 0.605 0.00 0.00 +0.113 A ATOM 27 N LIG 1 -7.718 -0.091 0.562 0.00 0.00 -0.129 NA ATOM 28 N LIG 1 -8.481 0.971 0.336 0.00 0.00 -0.065 NA ATOM 29 N LIG 1 -7.667 2.038 0.235 0.00 0.00 -0.247 N ATOM 30 C LIG 1 -8.235 3.335 -0.015 0.00 0.00 +0.175 C ATOM 31 C LIG 1 -6.352 1.696 0.402 0.00 0.00 +0.089 A ATOM 32 C LIG 1 -5.151 2.406 0.399 0.00 0.00 +0.030 A ATOM 33 C LIG 1 -3.983 1.662 0.615 0.00 0.00 +0.006 A ENDBRANCH 23 24 BRANCH 23 34 ATOM 34 C LIG 1 -2.683 -1.908 1.545 0.00 0.00 +0.133 C BRANCH 34 35 ATOM 35 C LIG 1 -2.925 -2.931 0.466 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -3.718 -2.872 -0.458 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -2.183 -4.044 0.644 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -2.449 -4.623 -0.101 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 23 34 ENDBRANCH 5 23 TORSDOF 7