REMARK Name = BDB000372 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.193 2.409 -2.869 0.00 0.00 +0.080 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.123 3.041 -3.824 0.00 0.00 -0.325 NA ATOM 3 H LIG 1 -1.060 2.523 -4.702 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 -0.687 3.932 -4.088 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 -0.709 1.039 -2.362 0.00 0.00 +0.025 C BRANCH 5 6 ATOM 6 C LIG 1 -1.578 0.128 -3.282 0.00 0.00 -0.003 C BRANCH 6 7 ATOM 7 C LIG 1 -0.826 -0.707 -4.369 0.00 0.00 -0.014 C ATOM 8 C LIG 1 -0.433 0.101 -5.605 0.00 0.00 +0.007 C ATOM 9 C LIG 1 0.374 -1.500 -3.845 0.00 0.00 +0.007 C ENDBRANCH 6 7 BRANCH 6 10 ATOM 10 C LIG 1 -2.392 -0.865 -2.389 0.00 0.00 +0.039 C BRANCH 10 15 ATOM 11 C LIG 1 -4.417 0.202 0.677 0.00 0.00 +0.162 A ATOM 12 C LIG 1 -5.471 0.923 0.082 0.00 0.00 +0.162 A ATOM 13 C LIG 1 -5.517 1.049 -1.310 0.00 0.00 +0.049 A ATOM 14 C LIG 1 -4.525 0.472 -2.107 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -3.466 -0.233 -1.528 0.00 0.00 -0.043 A ATOM 16 C LIG 1 -3.425 -0.368 -0.132 0.00 0.00 +0.053 A BRANCH 12 17 ATOM 17 O LIG 1 -6.401 1.454 0.942 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -7.452 2.223 0.375 0.00 0.00 +0.277 C ENDBRANCH 12 17 BRANCH 11 19 ATOM 19 O LIG 1 -4.441 0.121 2.047 0.00 0.00 -0.488 OA BRANCH 19 20 ATOM 20 C LIG 1 -3.476 -0.712 2.686 0.00 0.00 +0.231 C BRANCH 20 21 ATOM 21 C LIG 1 -3.773 -0.727 4.184 0.00 0.00 +0.069 C BRANCH 21 22 ATOM 22 C LIG 1 -5.096 -1.417 4.499 0.00 0.00 +0.163 C BRANCH 22 24 ATOM 23 C LIG 1 -6.204 -3.494 4.412 0.00 0.00 +0.193 C ATOM 24 O LIG 1 -4.973 -2.811 4.208 0.00 0.00 -0.383 OA ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 ENDBRANCH 10 15 ENDBRANCH 6 10 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 25 ATOM 25 C LIG 1 1.285 2.385 -3.366 0.00 0.00 +0.132 C BRANCH 25 26 ATOM 26 O LIG 1 1.364 3.165 -4.585 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 2.224 2.953 -4.990 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 2.318 3.021 -2.408 0.00 0.00 +0.045 C BRANCH 28 29 ATOM 29 C LIG 1 2.660 2.331 -1.072 0.00 0.00 +0.074 C ATOM 30 C LIG 1 1.552 2.430 -0.027 0.00 0.00 +0.017 C BRANCH 29 31 ATOM 31 C LIG 1 3.170 0.903 -1.269 0.00 0.00 +0.216 C ATOM 32 N LIG 1 3.452 0.233 -0.105 0.00 0.00 -0.313 N ATOM 33 H LIG 1 3.568 0.753 0.759 0.00 0.00 +0.149 HD ATOM 34 O LIG 1 3.362 0.406 -2.375 0.00 0.00 -0.276 OA BRANCH 32 35 ATOM 35 C LIG 1 4.076 -1.080 -0.113 0.00 0.00 +0.126 C BRANCH 35 36 ATOM 36 C LIG 1 4.158 -1.688 1.327 0.00 0.00 +0.032 C ATOM 37 C LIG 1 5.051 -2.946 1.276 0.00 0.00 +0.029 C ATOM 38 C LIG 1 2.722 -2.139 1.703 0.00 0.00 +0.029 C BRANCH 36 39 ATOM 39 N LIG 1 4.653 -0.652 2.287 0.00 0.00 -0.291 NA ATOM 40 C LIG 1 6.037 -0.175 2.062 0.00 0.00 +0.113 C ATOM 41 C LIG 1 7.031 -0.614 3.151 0.00 0.00 +0.175 C ATOM 42 O LIG 1 6.662 -0.172 4.462 0.00 0.00 -0.377 OA ATOM 43 C LIG 1 5.248 -0.027 4.631 0.00 0.00 +0.175 C ATOM 44 C LIG 1 4.435 -0.959 3.717 0.00 0.00 +0.113 C ENDBRANCH 36 39 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 20