REMARK Name = BDB063185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.089 0.199 -1.415 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -2.150 -0.586 -1.847 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -3.397 -0.519 -1.207 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -3.638 0.357 -0.140 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -2.539 1.134 0.276 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.289 1.076 -0.360 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -4.861 0.419 0.536 0.00 0.00 -0.323 N ATOM 8 C LIG 1 -6.099 -0.224 0.022 0.00 0.00 +0.087 C ATOM 9 C LIG 1 -7.142 0.908 0.046 0.00 0.00 +0.059 C ATOM 10 C LIG 1 -6.757 1.761 1.259 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -7.316 3.179 1.116 0.00 0.00 +0.043 C ATOM 12 C LIG 1 -5.212 1.717 1.180 0.00 0.00 +0.140 C BRANCH 10 13 ATOM 13 O LIG 1 -7.288 1.099 2.417 0.00 0.00 -0.375 OA ATOM 14 C LIG 1 -7.128 1.766 3.661 0.00 0.00 +0.194 C ENDBRANCH 10 13 BRANCH 8 15 ATOM 15 C LIG 1 -6.502 -1.390 0.924 0.00 0.00 +0.143 C BRANCH 15 16 ATOM 16 C LIG 1 -5.662 -2.606 0.659 0.00 0.00 +0.306 C ATOM 17 O LIG 1 -6.078 -3.615 0.109 0.00 0.00 -0.251 OA BRANCH 16 18 ATOM 18 O LIG 1 -4.396 -2.493 1.113 0.00 0.00 -0.481 OA ATOM 19 H LIG 1 -4.199 -1.567 1.385 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 O LIG 1 0.070 0.078 -2.124 0.00 0.00 -0.488 OA BRANCH 20 25 ATOM 21 N LIG 1 3.968 -0.740 -0.911 0.00 0.00 -0.327 N ATOM 22 C LIG 1 3.032 -1.833 -1.195 0.00 0.00 +0.112 C ATOM 23 C LIG 1 1.588 -1.393 -0.894 0.00 0.00 +0.044 C ATOM 24 C LIG 1 1.292 -1.526 0.607 0.00 0.00 +0.013 C ATOM 25 C LIG 1 1.299 0.048 -1.375 0.00 0.00 +0.179 C ATOM 26 C LIG 1 2.385 0.545 -2.326 0.00 0.00 +0.064 C ATOM 27 C LIG 1 3.748 0.517 -1.648 0.00 0.00 +0.109 C BRANCH 21 30 ATOM 28 C LIG 1 7.537 -0.330 0.120 0.00 0.00 +0.122 A ATOM 29 C LIG 1 6.172 -0.097 -0.111 0.00 0.00 +0.071 A ATOM 30 C LIG 1 5.329 -1.052 -0.714 0.00 0.00 +0.069 A ATOM 31 C LIG 1 5.930 -2.274 -1.064 0.00 0.00 +0.145 A ATOM 32 F LIG 1 5.229 -3.244 -1.672 0.00 0.00 -0.204 F ATOM 33 C LIG 1 7.286 -2.522 -0.841 0.00 0.00 +0.044 A ATOM 34 C LIG 1 8.092 -1.550 -0.252 0.00 0.00 +0.048 A BRANCH 28 35 ATOM 35 O LIG 1 8.196 0.718 0.701 0.00 0.00 -0.492 OA BRANCH 35 37 ATOM 36 C LIG 1 10.474 0.923 -0.108 0.00 0.00 +0.048 C ATOM 37 C LIG 1 9.569 0.562 1.056 0.00 0.00 +0.225 C ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 21 30 ENDBRANCH 20 25 ENDBRANCH 1 20 TORSDOF 10