REMARK Name = BDB032798 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.295 3.200 -0.458 0.00 0.00 -0.010 A ATOM 2 C LIG 1 2.030 2.248 -1.179 0.00 0.00 +0.020 A ATOM 3 C LIG 1 3.199 1.776 -0.614 0.00 0.00 +0.042 A ATOM 4 C LIG 1 4.146 0.786 -1.139 0.00 0.00 +0.248 C ATOM 5 N LIG 1 5.169 0.677 -0.209 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.932 1.494 0.975 0.00 0.00 +0.144 C ATOM 7 O LIG 1 4.017 0.169 -2.178 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.656 2.192 0.635 0.00 0.00 -0.018 A ATOM 9 C LIG 1 2.938 3.120 1.366 0.00 0.00 +0.006 A ATOM 10 C LIG 1 1.753 3.622 0.813 0.00 0.00 +0.007 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.190 -0.363 -0.295 0.00 0.00 +0.163 C ATOM 12 C LIG 1 7.538 -0.009 0.355 0.00 0.00 +0.240 C ATOM 13 O LIG 1 7.898 1.134 0.629 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 8.380 -1.070 0.600 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.262 -0.832 1.032 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 8.041 -2.398 0.655 0.00 0.00 +0.219 C ATOM 17 O LIG 1 8.811 -3.226 1.133 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 6.701 -2.778 0.074 0.00 0.00 +0.098 C ATOM 19 C LIG 1 5.675 -1.678 0.295 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 C LIG 1 0.002 3.741 -1.015 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 -1.102 3.094 -0.371 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 -2.649 1.530 -0.275 0.00 0.00 -0.251 N ATOM 23 H LIG 1 -2.781 2.022 0.596 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -1.638 2.040 -1.040 0.00 0.00 +0.405 C ATOM 25 O LIG 1 -1.256 1.650 -2.132 0.00 0.00 -0.226 OA BRANCH 22 31 ATOM 26 C LIG 1 -4.206 -2.247 -3.103 0.00 0.00 +0.065 C ATOM 27 C LIG 1 -4.276 -1.397 -1.869 0.00 0.00 +0.040 A ATOM 28 N LIG 1 -5.218 -1.716 -0.951 0.00 0.00 -0.256 NA ATOM 29 C LIG 1 -5.310 -0.973 0.176 0.00 0.00 +0.049 A ATOM 30 C LIG 1 -4.454 0.107 0.399 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -3.485 0.432 -0.552 0.00 0.00 +0.040 A ATOM 32 C LIG 1 -3.396 -0.335 -1.706 0.00 0.00 +0.046 A BRANCH 29 33 ATOM 33 C LIG 1 -6.386 -1.359 1.198 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -5.729 -1.725 2.543 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -7.205 -2.581 0.727 0.00 0.00 +0.017 C ATOM 36 C LIG 1 -7.365 -0.187 1.402 0.00 0.00 +0.017 C ENDBRANCH 29 33 ENDBRANCH 22 31 ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 6