REMARK Name = BDB033665 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.862 -2.394 1.055 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.144 -3.417 0.133 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -2.417 -4.214 0.178 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -0.202 -3.701 -0.869 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.002 -2.993 -0.961 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.319 -1.999 -0.036 0.00 0.00 -0.038 A ATOM 7 C LIG 1 0.372 -1.717 0.963 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.828 -1.939 2.132 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -3.756 0.844 0.412 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.040 1.935 1.307 0.00 0.00 -0.485 OA ATOM 11 C LIG 1 -2.904 2.625 1.615 0.00 0.00 +0.150 A ATOM 12 C LIG 1 -1.892 2.109 2.407 0.00 0.00 +0.165 A ATOM 13 C LIG 1 -0.768 2.888 2.620 0.00 0.00 +0.143 A ATOM 14 N LIG 1 -0.612 4.135 2.103 0.00 0.00 -0.261 NA ATOM 15 C LIG 1 -1.641 4.629 1.379 0.00 0.00 +0.114 A ATOM 16 S LIG 1 -2.001 0.537 3.170 0.00 0.00 +0.066 S ATOM 17 O LIG 1 -3.169 0.511 4.021 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -0.688 0.248 3.713 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.253 -0.533 1.874 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -2.799 3.920 1.114 0.00 0.00 +0.067 A ATOM 21 C LIG 1 -3.588 -0.459 1.205 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -6.281 0.482 0.042 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.922 0.762 -0.590 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.597 -1.159 -0.097 0.00 0.00 +0.072 C BRANCH 24 25 ATOM 25 C LIG 1 2.508 -0.088 -1.183 0.00 0.00 +0.002 A ATOM 26 S LIG 1 2.637 -0.436 -2.850 0.00 0.00 -0.086 S ATOM 27 C LIG 1 2.417 1.203 -3.314 0.00 0.00 +0.096 A ATOM 28 C LIG 1 2.192 2.002 -2.206 0.00 0.00 +0.138 A ATOM 29 C LIG 1 2.261 1.260 -0.987 0.00 0.00 +0.058 A BRANCH 27 30 ATOM 30 C LIG 1 2.477 1.527 -4.738 0.00 0.00 +0.170 C ATOM 31 O LIG 1 2.528 0.676 -5.633 0.00 0.00 -0.292 OA ATOM 32 C LIG 1 2.469 2.984 -5.137 0.00 0.00 +0.092 C ENDBRANCH 27 30 BRANCH 28 33 ATOM 33 O LIG 1 1.945 3.331 -2.353 0.00 0.00 -0.494 OA ATOM 34 C LIG 1 1.558 4.009 -1.163 0.00 0.00 +0.277 C ENDBRANCH 28 33 ENDBRANCH 24 25 BRANCH 24 35 ATOM 35 C LIG 1 3.980 -1.875 0.079 0.00 0.00 +0.073 C ATOM 36 C LIG 1 5.074 -0.815 0.377 0.00 0.00 +0.023 C ATOM 37 C LIG 1 3.949 -2.814 1.308 0.00 0.00 +0.023 C BRANCH 35 38 ATOM 38 C LIG 1 4.455 -2.662 -1.136 0.00 0.00 +0.311 C ATOM 39 O LIG 1 5.246 -2.278 -1.985 0.00 0.00 -0.250 OA BRANCH 38 40 ATOM 40 O LIG 1 3.971 -3.914 -1.222 0.00 0.00 -0.480 OA ATOM 41 H LIG 1 4.399 -4.271 -2.030 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 35 38 ENDBRANCH 24 35 ENDBRANCH 6 24 TORSDOF 10