REMARK Name = BDB024695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.498 -2.487 0.823 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.186 -1.224 0.291 0.00 0.00 -0.234 N ATOM 3 C LIG 1 6.277 -0.226 0.276 0.00 0.00 +0.082 C ATOM 4 C LIG 1 7.344 -0.578 -0.774 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.828 1.222 0.026 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.508 1.499 0.711 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.500 0.550 0.132 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.192 0.957 -0.201 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.613 2.195 -0.087 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.378 2.072 -0.536 0.00 0.00 +0.115 A ATOM 11 N LIG 1 0.137 0.771 -0.930 0.00 0.00 -0.326 N ATOM 12 C LIG 1 1.291 0.043 -0.732 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.627 -1.292 -0.962 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.927 -1.690 -0.620 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.860 -0.803 -0.062 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.640 -2.837 1.113 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 4.729 -4.547 1.651 0.00 0.00 +0.282 C ATOM 18 O LIG 1 4.417 -3.284 1.064 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.100 0.226 -1.467 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 -1.924 -0.499 -0.394 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 -3.128 -1.144 -0.955 0.00 0.00 -0.296 NA ATOM 22 C LIG 1 -3.985 -1.650 0.159 0.00 0.00 +0.115 C ATOM 23 C LIG 1 -5.156 -0.957 -0.496 0.00 0.00 +0.114 C ATOM 24 S LIG 1 -6.428 -0.244 0.407 0.00 0.00 -0.023 S ATOM 25 O LIG 1 -6.967 0.933 -0.240 0.00 0.00 -0.174 OA ATOM 26 O LIG 1 -6.220 -0.323 1.837 0.00 0.00 -0.174 OA ATOM 27 C LIG 1 -7.194 -1.725 -0.208 0.00 0.00 +0.169 C ATOM 28 C LIG 1 -6.107 -1.836 -1.305 0.00 0.00 +0.055 C ATOM 29 C LIG 1 -4.170 -0.133 -1.281 0.00 0.00 +0.115 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -0.609 3.203 -0.612 0.00 0.00 +0.109 C BRANCH 30 31 ATOM 31 C LIG 1 -1.768 3.094 0.355 0.00 0.00 -0.040 A ATOM 32 C LIG 1 -3.072 3.383 -0.076 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -4.153 3.266 0.800 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.942 2.876 2.120 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.648 2.629 2.573 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.566 2.748 1.700 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6