REMARK Name = BDB041378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.064 -2.027 -0.454 0.00 0.00 -0.037 A ATOM 2 C LIG 1 0.818 -3.331 0.003 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.470 -3.723 0.441 0.00 0.00 -0.009 A ATOM 4 C LIG 1 -1.503 -2.780 0.406 0.00 0.00 +0.040 A ATOM 5 S LIG 1 -2.982 -3.474 0.986 0.00 0.00 -0.095 S ATOM 6 C LIG 1 -2.259 -4.988 1.271 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -1.298 -1.451 -0.050 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -0.925 -4.990 0.941 0.00 0.00 +0.016 A ATOM 9 C LIG 1 0.004 -1.118 -0.479 0.00 0.00 +0.028 A ENDROOT BRANCH 7 10 ATOM 10 N LIG 1 -2.349 -0.513 -0.092 0.00 0.00 -0.320 N ATOM 11 C LIG 1 -2.051 0.767 0.570 0.00 0.00 +0.164 C ATOM 12 C LIG 1 -3.289 1.425 1.153 0.00 0.00 +0.104 A ATOM 13 C LIG 1 -4.544 1.416 0.528 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -5.623 2.007 1.195 0.00 0.00 +0.053 A ATOM 15 C LIG 1 -5.431 2.623 2.424 0.00 0.00 +0.070 A ATOM 16 C LIG 1 -4.156 2.616 2.934 0.00 0.00 +0.213 A ATOM 17 O LIG 1 -4.878 0.861 -0.677 0.00 0.00 -0.489 OA ATOM 18 C LIG 1 -3.826 0.796 -1.636 0.00 0.00 +0.248 C ATOM 19 N LIG 1 -3.087 2.056 2.351 0.00 0.00 -0.213 NA ATOM 20 C LIG 1 -2.938 -0.435 -1.441 0.00 0.00 +0.146 C BRANCH 16 21 ATOM 21 O LIG 1 -3.886 3.204 4.125 0.00 0.00 -0.492 OA ATOM 22 H LIG 1 -2.938 2.996 4.200 0.00 0.00 +0.294 HD ENDBRANCH 16 21 ENDBRANCH 7 10 BRANCH 1 23 ATOM 23 C LIG 1 2.460 -1.649 -0.947 0.00 0.00 +0.060 C BRANCH 23 34 ATOM 24 C LIG 1 3.070 -0.859 1.900 0.00 0.00 +0.046 C ATOM 25 C LIG 1 3.183 0.133 0.773 0.00 0.00 -0.017 A ATOM 26 C LIG 1 3.567 1.467 1.047 0.00 0.00 +0.116 A ATOM 27 N LIG 1 3.892 2.068 2.239 0.00 0.00 -0.129 NA ATOM 28 N LIG 1 4.192 3.337 1.998 0.00 0.00 -0.065 NA ATOM 29 N LIG 1 4.050 3.539 0.677 0.00 0.00 -0.247 N ATOM 30 C LIG 1 4.313 4.841 0.127 0.00 0.00 +0.175 C ATOM 31 C LIG 1 3.667 2.398 0.024 0.00 0.00 +0.089 A ATOM 32 C LIG 1 3.408 2.091 -1.308 0.00 0.00 +0.030 A ATOM 33 C LIG 1 3.026 0.773 -1.586 0.00 0.00 +0.007 A ATOM 34 C LIG 1 2.900 -0.215 -0.587 0.00 0.00 -0.034 A ENDBRANCH 23 34 BRANCH 23 35 ATOM 35 C LIG 1 2.686 -2.126 -2.400 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 1.566 -1.823 -3.364 0.00 0.00 +0.306 C ATOM 37 O LIG 1 0.985 -0.764 -3.526 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 1.260 -2.887 -4.136 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 0.528 -2.572 -4.706 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 23 35 ENDBRANCH 1 23 TORSDOF 7