REMARK Name = BDB004141 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.508 0.763 0.635 0.00 0.00 +0.027 A ATOM 2 C LIG 1 -0.219 1.937 0.456 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -1.595 1.909 0.166 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -2.301 0.704 0.004 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -1.555 -0.470 0.162 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.181 -0.439 0.456 0.00 0.00 +0.025 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.726 0.698 -0.291 0.00 0.00 -0.271 N ATOM 8 C LIG 1 -4.386 -0.453 -0.728 0.00 0.00 +0.221 C ATOM 9 O LIG 1 -3.853 -1.519 -1.040 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -5.889 -0.375 -0.903 0.00 0.00 +0.112 C ATOM 11 C LIG 1 -6.584 0.593 0.053 0.00 0.00 +0.057 C ATOM 12 C LIG 1 -6.351 0.190 1.519 0.00 0.00 +0.226 C ATOM 13 O LIG 1 -5.857 0.943 2.353 0.00 0.00 -0.275 OA ATOM 14 N LIG 1 -6.675 -1.098 1.848 0.00 0.00 -0.256 N ATOM 15 H LIG 1 -6.110 -1.393 2.640 0.00 0.00 +0.157 HD ATOM 16 C LIG 1 -7.947 -1.395 2.249 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -8.111 -2.063 3.270 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -9.124 -0.801 1.513 0.00 0.00 +0.096 C ATOM 19 C LIG 1 -8.914 -0.574 0.024 0.00 0.00 +0.010 C ATOM 20 C LIG 1 -8.095 0.685 -0.259 0.00 0.00 +0.017 C ATOM 21 C LIG 1 -5.957 1.961 -0.238 0.00 0.00 +0.036 C ATOM 22 C LIG 1 -4.438 1.970 -0.083 0.00 0.00 +0.114 C ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 N LIG 1 1.886 0.716 0.846 0.00 0.00 -0.344 N ATOM 24 H LIG 1 2.158 -0.128 1.346 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 2.616 1.905 1.268 0.00 0.00 +0.101 C BRANCH 25 26 ATOM 26 C LIG 1 4.105 1.588 1.438 0.00 0.00 +0.019 C BRANCH 26 27 ATOM 27 C LIG 1 4.908 1.537 0.130 0.00 0.00 +0.002 C BRANCH 27 28 ATOM 28 C LIG 1 4.494 0.408 -0.818 0.00 0.00 +0.011 C BRANCH 28 29 ATOM 29 C LIG 1 5.436 0.273 -2.014 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 C LIG 1 6.818 -0.199 -1.633 0.00 0.00 +0.308 C ATOM 31 O LIG 1 7.841 0.410 -1.911 0.00 0.00 -0.251 OA BRANCH 30 32 ATOM 32 O LIG 1 6.748 -1.386 -0.976 0.00 0.00 -0.459 OA BRANCH 32 34 ATOM 33 C LIG 1 8.868 -2.445 -1.645 0.00 0.00 +0.055 C ATOM 34 C LIG 1 7.948 -2.040 -0.489 0.00 0.00 +0.105 C ATOM 35 C LIG 1 8.674 -1.169 0.544 0.00 0.00 +0.055 C ATOM 36 C LIG 1 7.440 -3.312 0.208 0.00 0.00 +0.055 C ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 10