REMARK Name = BDB058315 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.378 -0.934 -0.059 0.00 0.00 +0.113 A ATOM 2 N LIG 1 -0.756 0.086 0.618 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -1.185 1.387 0.433 0.00 0.00 +0.258 A ATOM 4 O LIG 1 -0.715 2.354 1.032 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -2.271 1.609 -0.556 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -2.791 0.523 -1.154 0.00 0.00 +0.055 A ATOM 7 N LIG 1 -2.339 -0.746 -0.905 0.00 0.00 -0.238 NA ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 -3.957 0.577 -2.141 0.00 0.00 +0.032 C ATOM 9 C LIG 1 -5.112 -0.330 -1.698 0.00 0.00 +0.014 C ATOM 10 C LIG 1 -3.494 0.210 -3.552 0.00 0.00 +0.014 C ENDBRANCH 6 8 BRANCH 1 11 ATOM 11 C LIG 1 -0.991 -2.385 0.188 0.00 0.00 +0.074 C BRANCH 11 12 ATOM 12 C LIG 1 -1.733 -2.993 1.382 0.00 0.00 +0.007 C BRANCH 12 14 ATOM 13 C LIG 1 -3.656 -4.042 0.062 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -3.250 -3.131 1.210 0.00 0.00 -0.003 C ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 2 15 ATOM 15 C LIG 1 0.359 -0.112 1.549 0.00 0.00 +0.161 C BRANCH 15 16 ATOM 16 C LIG 1 1.714 -0.171 0.865 0.00 0.00 -0.028 A ATOM 17 C LIG 1 2.192 0.908 0.109 0.00 0.00 +0.006 A ATOM 18 C LIG 1 3.448 0.853 -0.503 0.00 0.00 +0.009 A ATOM 19 C LIG 1 4.268 -0.276 -0.364 0.00 0.00 -0.017 A ATOM 20 C LIG 1 3.789 -1.354 0.394 0.00 0.00 +0.009 A ATOM 21 C LIG 1 2.534 -1.298 1.010 0.00 0.00 +0.006 A BRANCH 19 22 ATOM 22 C LIG 1 5.600 -0.320 -0.986 0.00 0.00 -0.007 A ATOM 23 C LIG 1 6.809 -0.369 -0.256 0.00 0.00 +0.028 A ATOM 24 C LIG 1 8.036 -0.486 -0.935 0.00 0.00 +0.012 A ATOM 25 C LIG 1 8.080 -0.525 -2.327 0.00 0.00 +0.001 A ATOM 26 C LIG 1 6.900 -0.456 -3.057 0.00 0.00 +0.001 A ATOM 27 C LIG 1 5.675 -0.358 -2.393 0.00 0.00 +0.009 A BRANCH 23 28 ATOM 28 C LIG 1 6.892 -0.304 1.217 0.00 0.00 +0.183 A ATOM 29 N LIG 1 6.027 0.413 1.947 0.00 0.00 -0.271 N ATOM 30 H LIG 1 5.235 0.957 1.654 0.00 0.00 +0.174 HD ATOM 31 C LIG 1 6.380 0.259 3.231 0.00 0.00 +0.440 A ATOM 32 O LIG 1 5.808 0.744 4.194 0.00 0.00 -0.221 OA ATOM 33 O LIG 1 7.492 -0.542 3.283 0.00 0.00 -0.295 OA ATOM 34 N LIG 1 7.800 -0.887 1.930 0.00 0.00 -0.054 NA ENDBRANCH 23 28 ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 2 15 BRANCH 5 35 ATOM 35 C LIG 1 -2.661 3.048 -0.762 0.00 0.00 +0.163 C BRANCH 35 36 ATOM 36 C LIG 1 -3.496 3.616 0.371 0.00 0.00 +0.312 C ATOM 37 O LIG 1 -3.592 4.819 0.590 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -4.184 2.650 1.041 0.00 0.00 -0.465 OA BRANCH 38 39 ATOM 39 C LIG 1 -5.024 3.102 2.112 0.00 0.00 +0.229 C ATOM 40 C LIG 1 -6.402 3.448 1.580 0.00 0.00 +0.048 C ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 12