REMARK Name = BDB051027 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.647 -0.289 -0.484 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.411 -0.812 -0.937 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -1.238 -2.291 -1.189 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -0.315 0.066 -1.168 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.446 1.448 -0.912 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -1.663 1.901 -0.431 0.00 0.00 +0.138 A ATOM 7 O LIG 1 -1.627 3.246 -0.227 0.00 0.00 -0.459 OA ATOM 8 C LIG 1 -0.387 3.676 -0.588 0.00 0.00 +0.109 A ATOM 9 C LIG 1 0.369 2.610 -1.028 0.00 0.00 +0.054 A ATOM 10 C LIG 1 -2.767 1.086 -0.206 0.00 0.00 +0.070 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 0.972 -0.443 -1.700 0.00 0.00 +0.245 C ATOM 12 N LIG 1 2.083 -0.132 -0.947 0.00 0.00 -0.307 N ATOM 13 H LIG 1 1.981 0.555 -0.209 0.00 0.00 +0.149 HD ATOM 14 O LIG 1 1.003 -1.092 -2.737 0.00 0.00 -0.270 OA BRANCH 12 15 ATOM 15 C LIG 1 3.408 -0.345 -1.484 0.00 0.00 +0.149 C BRANCH 15 16 ATOM 16 C LIG 1 4.437 -0.178 -0.415 0.00 0.00 +0.075 A ATOM 17 C LIG 1 4.610 1.190 0.158 0.00 0.00 +0.257 A ATOM 18 O LIG 1 3.913 2.137 -0.200 0.00 0.00 -0.267 OA ATOM 19 N LIG 1 5.576 1.339 1.122 0.00 0.00 -0.326 N ATOM 20 H LIG 1 5.667 2.273 1.506 0.00 0.00 +0.169 HD ATOM 21 C LIG 1 6.359 0.318 1.607 0.00 0.00 +0.019 A ATOM 22 C LIG 1 7.326 0.654 2.698 0.00 0.00 +0.063 C ATOM 23 C LIG 1 6.211 -0.911 1.093 0.00 0.00 +0.067 A ATOM 24 C LIG 1 5.257 -1.148 0.032 0.00 0.00 +0.132 A BRANCH 24 25 ATOM 25 O LIG 1 5.178 -2.452 -0.410 0.00 0.00 -0.495 OA ATOM 26 C LIG 1 6.180 -2.732 -1.388 0.00 0.00 +0.277 C ENDBRANCH 24 25 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 4 11 BRANCH 8 27 ATOM 27 C LIG 1 0.052 5.164 -0.497 0.00 0.00 +0.055 C ATOM 28 C LIG 1 1.489 5.518 -0.216 0.00 0.00 +0.012 C ATOM 29 C LIG 1 0.908 5.766 -1.579 0.00 0.00 +0.012 C ENDBRANCH 8 27 BRANCH 1 30 ATOM 30 N LIG 1 -3.786 -1.080 -0.294 0.00 0.00 -0.327 N BRANCH 30 31 ATOM 31 C LIG 1 -4.084 -1.483 1.095 0.00 0.00 +0.078 C ATOM 32 C LIG 1 -5.172 -0.581 1.698 0.00 0.00 +0.050 C ATOM 33 C LIG 1 -6.023 -1.324 2.720 0.00 0.00 +0.161 C ATOM 34 O LIG 1 -5.208 -2.212 3.475 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -4.710 -3.305 2.702 0.00 0.00 +0.161 C ATOM 36 C LIG 1 -4.462 -2.957 1.236 0.00 0.00 +0.050 C ENDBRANCH 30 31 BRANCH 30 38 ATOM 37 C LIG 1 -5.821 -1.321 -1.659 0.00 0.00 +0.024 C ATOM 38 C LIG 1 -4.365 -1.722 -1.475 0.00 0.00 +0.102 C ENDBRANCH 30 38 ENDBRANCH 1 30 TORSDOF 8