REMARK Name = BDB013419 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.116 -3.036 -0.428 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.235 -4.045 0.543 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.823 -5.091 0.751 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -1.401 -4.099 1.324 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.434 -3.169 1.159 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -2.341 -2.166 0.189 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -1.177 -2.122 -0.595 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.104 -2.849 -1.311 0.00 0.00 +0.144 C BRANCH 8 18 ATOM 9 N LIG 1 3.830 0.680 -0.388 0.00 0.00 -0.313 N ATOM 10 C LIG 1 2.895 1.534 -1.003 0.00 0.00 +0.148 A ATOM 11 C LIG 1 1.977 1.062 -1.938 0.00 0.00 +0.145 A ATOM 12 C LIG 1 1.018 1.931 -2.478 0.00 0.00 +0.033 A ATOM 13 C LIG 1 0.998 3.257 -2.072 0.00 0.00 +0.022 A ATOM 14 C LIG 1 1.938 3.660 -1.144 0.00 0.00 +0.113 A ATOM 15 S LIG 1 2.018 -0.609 -2.483 0.00 0.00 +0.064 S ATOM 16 O LIG 1 3.338 -0.947 -2.973 0.00 0.00 -0.153 OA ATOM 17 O LIG 1 0.863 -0.789 -3.347 0.00 0.00 -0.153 OA ATOM 18 N LIG 1 1.712 -1.512 -1.073 0.00 0.00 -0.171 NA ATOM 19 C LIG 1 2.812 -1.566 -0.065 0.00 0.00 +0.128 C ATOM 20 N LIG 1 2.872 2.838 -0.612 0.00 0.00 -0.238 NA ATOM 21 C LIG 1 3.135 -0.206 0.564 0.00 0.00 +0.123 C BRANCH 9 23 ATOM 22 C LIG 1 6.193 0.437 0.236 0.00 0.00 +0.024 C ATOM 23 C LIG 1 5.006 1.391 0.133 0.00 0.00 +0.103 C ENDBRANCH 9 23 ENDBRANCH 8 18 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 -3.411 -1.095 -0.044 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 -2.914 0.284 0.411 0.00 0.00 -0.037 A ATOM 26 C LIG 1 -2.791 1.321 -0.539 0.00 0.00 +0.036 A ATOM 27 C LIG 1 -2.326 2.577 -0.128 0.00 0.00 +0.113 A ATOM 28 N LIG 1 -2.113 3.727 -0.841 0.00 0.00 -0.129 NA ATOM 29 N LIG 1 -1.642 4.646 -0.005 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 -1.577 4.085 1.220 0.00 0.00 -0.247 N ATOM 31 C LIG 1 -1.107 4.872 2.334 0.00 0.00 +0.175 C ATOM 32 C LIG 1 -1.992 2.781 1.207 0.00 0.00 +0.089 A ATOM 33 C LIG 1 -2.107 1.785 2.180 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -2.567 0.532 1.752 0.00 0.00 +0.006 A ENDBRANCH 24 25 BRANCH 24 35 ATOM 35 C LIG 1 -4.791 -1.418 0.559 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 -5.842 -0.459 0.072 0.00 0.00 +0.306 C ATOM 37 O LIG 1 -5.939 0.019 -1.044 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -6.762 -0.183 1.018 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 -7.359 0.457 0.586 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 24 35 ENDBRANCH 6 24 TORSDOF 8