REMARK Name = BDB052152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.307 -0.243 0.398 0.00 0.00 +0.122 A ATOM 2 C LIG 1 1.444 0.267 -0.247 0.00 0.00 +0.056 A ATOM 3 C LIG 1 2.736 -0.176 0.073 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.855 -1.166 1.056 0.00 0.00 +0.050 A ATOM 5 N LIG 1 4.115 -1.661 1.390 0.00 0.00 -0.322 N ATOM 6 H LIG 1 4.216 -2.374 2.098 0.00 0.00 +0.169 HD ATOM 7 C LIG 1 5.271 -1.250 0.797 0.00 0.00 +0.253 A ATOM 8 C LIG 1 5.167 -0.200 -0.266 0.00 0.00 +0.030 A ATOM 9 C LIG 1 6.502 0.137 -0.875 0.00 0.00 +0.110 C ATOM 10 S LIG 1 6.392 1.032 -2.449 0.00 0.00 -0.156 S ATOM 11 C LIG 1 5.106 2.200 -1.962 0.00 0.00 +0.074 C ATOM 12 C LIG 1 3.821 1.463 -1.590 0.00 0.00 +0.047 C ATOM 13 O LIG 1 6.353 -1.721 1.139 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 1.734 -1.679 1.712 0.00 0.00 +0.030 A ATOM 15 C LIG 1 3.967 0.340 -0.583 0.00 0.00 -0.028 A ATOM 16 C LIG 1 0.460 -1.213 1.384 0.00 0.00 +0.048 A ENDROOT BRANCH 1 17 ATOM 17 O LIG 1 -0.870 0.302 -0.030 0.00 0.00 -0.488 OA BRANCH 17 20 ATOM 18 N LIG 1 -4.527 -0.352 -0.130 0.00 0.00 -0.299 NA ATOM 19 C LIG 1 -3.189 0.041 -0.598 0.00 0.00 +0.128 C ATOM 20 C LIG 1 -2.109 -0.214 0.476 0.00 0.00 +0.187 C ATOM 21 C LIG 1 -2.490 0.516 1.768 0.00 0.00 +0.047 C ATOM 22 C LIG 1 -3.907 0.156 2.200 0.00 0.00 +0.019 C ATOM 23 C LIG 1 -4.913 0.395 1.071 0.00 0.00 +0.084 C BRANCH 18 25 ATOM 24 C LIG 1 -5.840 1.072 -1.790 0.00 0.00 +0.020 C ATOM 25 C LIG 1 -5.541 -0.299 -1.190 0.00 0.00 +0.081 C ENDBRANCH 18 25 ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 3