REMARK Name = BDB012151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.307 -0.180 0.120 0.00 0.00 +0.073 A ATOM 2 C LIG 1 -1.040 0.166 0.560 0.00 0.00 -0.009 A ATOM 3 C LIG 1 -0.626 1.573 0.875 0.00 0.00 +0.047 C ATOM 4 C LIG 1 -0.172 -0.995 0.687 0.00 0.00 +0.059 A ATOM 5 C LIG 1 -0.826 -2.175 0.357 0.00 0.00 +0.069 A ATOM 6 S LIG 1 -2.446 -1.867 -0.120 0.00 0.00 -0.070 S ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -0.344 -3.540 0.331 0.00 0.00 +0.142 A ATOM 8 O LIG 1 -1.200 -4.616 0.215 0.00 0.00 -0.462 OA ATOM 9 C LIG 1 -0.464 -5.752 0.218 0.00 0.00 +0.196 A ATOM 10 C LIG 1 0.870 -5.456 0.324 0.00 0.00 +0.042 A ATOM 11 C LIG 1 0.949 -4.043 0.388 0.00 0.00 +0.050 A ENDBRANCH 5 7 BRANCH 4 12 ATOM 12 C LIG 1 1.216 -0.932 1.128 0.00 0.00 +0.246 C ATOM 13 N LIG 1 2.014 -0.175 0.303 0.00 0.00 -0.307 N ATOM 14 H LIG 1 1.554 0.393 -0.399 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 1.625 -1.500 2.134 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 3.340 0.225 0.710 0.00 0.00 +0.145 C BRANCH 16 17 ATOM 17 C LIG 1 4.160 0.522 -0.508 0.00 0.00 +0.037 A ATOM 18 C LIG 1 3.904 1.862 -1.129 0.00 0.00 +0.254 A ATOM 19 O LIG 1 3.024 2.612 -0.715 0.00 0.00 -0.268 OA ATOM 20 N LIG 1 4.690 2.205 -2.199 0.00 0.00 -0.326 N ATOM 21 H LIG 1 4.504 3.117 -2.599 0.00 0.00 +0.169 HD ATOM 22 C LIG 1 5.657 1.397 -2.743 0.00 0.00 +0.016 A ATOM 23 C LIG 1 6.408 1.932 -3.923 0.00 0.00 +0.063 C ATOM 24 C LIG 1 5.874 0.188 -2.205 0.00 0.00 +0.024 A ATOM 25 C LIG 1 5.111 -0.271 -1.052 0.00 0.00 -0.039 A ATOM 26 C LIG 1 5.467 -1.649 -0.568 0.00 0.00 +0.044 C ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 4 12 BRANCH 1 27 ATOM 27 N LIG 1 -3.336 0.710 -0.103 0.00 0.00 -0.321 N BRANCH 27 28 ATOM 28 C LIG 1 -4.485 0.669 0.863 0.00 0.00 +0.078 C ATOM 29 C LIG 1 -5.237 2.018 0.823 0.00 0.00 +0.050 C ATOM 30 C LIG 1 -5.864 2.387 2.159 0.00 0.00 +0.161 C ATOM 31 O LIG 1 -6.340 1.215 2.804 0.00 0.00 -0.380 OA ATOM 32 C LIG 1 -5.276 0.369 3.239 0.00 0.00 +0.161 C ATOM 33 C LIG 1 -4.062 0.389 2.313 0.00 0.00 +0.050 C ENDBRANCH 27 28 BRANCH 27 35 ATOM 34 C LIG 1 -2.654 1.393 -2.399 0.00 0.00 +0.024 C ATOM 35 C LIG 1 -3.760 0.817 -1.524 0.00 0.00 +0.102 C ENDBRANCH 27 35 ENDBRANCH 1 27 TORSDOF 7