REMARK Name = BDB064282 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.208 0.642 -1.481 0.00 0.00 -0.268 N ATOM 2 H LIG 1 2.796 1.407 -1.782 0.00 0.00 +0.156 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 4.639 -1.663 0.938 0.00 0.00 +0.164 A ATOM 4 C LIG 1 5.098 -0.574 0.205 0.00 0.00 +0.118 A ATOM 5 N LIG 1 4.283 0.168 -0.590 0.00 0.00 -0.211 NA ATOM 6 C LIG 1 2.981 -0.149 -0.634 0.00 0.00 +0.221 A ATOM 7 N LIG 1 2.460 -1.192 0.022 0.00 0.00 -0.219 NA ATOM 8 C LIG 1 3.292 -1.916 0.796 0.00 0.00 +0.162 A BRANCH 4 9 ATOM 9 C LIG 1 6.506 -0.119 0.202 0.00 0.00 +0.005 A ATOM 10 C LIG 1 7.219 0.073 1.402 0.00 0.00 +0.027 A ATOM 11 C LIG 1 8.554 0.516 1.352 0.00 0.00 +0.040 A ATOM 12 C LIG 1 9.200 0.781 0.143 0.00 0.00 +0.078 A ATOM 13 N LIG 1 10.513 1.209 0.251 0.00 0.00 -0.247 NA ATOM 14 C LIG 1 10.850 1.268 1.519 0.00 0.00 +0.157 A ATOM 15 C LIG 1 8.485 0.600 -1.055 0.00 0.00 +0.029 A ATOM 16 S LIG 1 9.645 0.824 2.651 0.00 0.00 -0.075 S ATOM 17 C LIG 1 7.156 0.159 -1.011 0.00 0.00 +0.012 A ENDBRANCH 4 9 BRANCH 3 19 ATOM 18 C LIG 1 5.003 -3.504 2.400 0.00 0.00 +0.277 C ATOM 19 O LIG 1 5.518 -2.382 1.692 0.00 0.00 -0.491 OA ENDBRANCH 3 19 ENDBRANCH 1 6 BRANCH 1 20 ATOM 20 C LIG 1 0.876 1.036 -1.284 0.00 0.00 +0.125 A ATOM 21 N LIG 1 0.228 0.779 -0.127 0.00 0.00 -0.239 NA ATOM 22 C LIG 1 -1.061 1.179 -0.007 0.00 0.00 +0.126 A ATOM 23 C LIG 1 -1.765 1.812 -1.015 0.00 0.00 +0.055 A ATOM 24 C LIG 1 -1.094 2.105 -2.196 0.00 0.00 +0.018 A ATOM 25 C LIG 1 0.237 1.706 -2.332 0.00 0.00 +0.044 A BRANCH 23 26 ATOM 26 C LIG 1 -3.165 2.233 -0.832 0.00 0.00 +0.248 C ATOM 27 N LIG 1 -4.100 1.307 -0.385 0.00 0.00 -0.295 N ATOM 28 C LIG 1 -5.463 1.772 -0.126 0.00 0.00 +0.123 C ATOM 29 C LIG 1 -6.250 0.813 0.786 0.00 0.00 +0.103 C ATOM 30 N LIG 1 -6.273 -0.594 0.343 0.00 0.00 -0.297 NA ATOM 31 C LIG 1 -5.236 -0.901 -0.657 0.00 0.00 +0.103 C ATOM 32 C LIG 1 -3.914 -0.151 -0.399 0.00 0.00 +0.123 C ATOM 33 O LIG 1 -3.446 3.401 -1.093 0.00 0.00 -0.270 OA BRANCH 30 34 ATOM 34 C LIG 1 -7.592 -1.144 -0.010 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -8.461 -1.294 1.246 0.00 0.00 +0.024 C ATOM 36 C LIG 1 -8.349 -0.366 -1.092 0.00 0.00 +0.024 C ENDBRANCH 30 34 ENDBRANCH 23 26 ENDBRANCH 1 20 TORSDOF 6