REMARK Name = BDB018131 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.639 -1.599 -1.529 0.00 0.00 +0.185 C ATOM 2 C LIG 1 -2.645 -2.126 -0.501 0.00 0.00 +0.210 C ATOM 3 C LIG 1 -2.209 -1.426 0.799 0.00 0.00 +0.253 C ATOM 4 O LIG 1 -0.869 -0.919 0.615 0.00 0.00 -0.343 OA ATOM 5 C LIG 1 -0.395 -1.412 -0.657 0.00 0.00 +0.205 C ENDROOT BRANCH 3 6 ATOM 6 N LIG 1 -3.101 -0.342 1.190 0.00 0.00 -0.303 N ATOM 7 C LIG 1 -4.387 -0.556 1.628 0.00 0.00 +0.148 A ATOM 8 C LIG 1 -4.955 0.676 1.915 0.00 0.00 +0.058 A ATOM 9 C LIG 1 -6.277 0.666 2.378 0.00 0.00 +0.129 A ATOM 10 N LIG 1 -6.908 -0.517 2.518 0.00 0.00 -0.220 NA ATOM 11 C LIG 1 -6.240 -1.640 2.194 0.00 0.00 +0.225 A ATOM 12 C LIG 1 -3.966 1.660 1.635 0.00 0.00 +0.033 A ATOM 13 N LIG 1 -4.978 -1.760 1.740 0.00 0.00 -0.218 NA ATOM 14 C LIG 1 -2.835 1.005 1.195 0.00 0.00 +0.091 A BRANCH 9 15 ATOM 15 N LIG 1 -6.982 1.810 2.722 0.00 0.00 -0.343 N ATOM 16 H LIG 1 -7.790 1.578 3.288 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 -6.411 2.578 3.047 0.00 0.00 +0.144 HD ENDBRANCH 9 15 ENDBRANCH 3 6 BRANCH 1 19 ATOM 18 C LIG 1 -2.538 0.652 -2.665 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -2.129 -0.355 -2.154 0.00 0.00 -0.065 C ENDBRANCH 1 19 BRANCH 2 20 ATOM 20 O LIG 1 -2.500 -3.563 -0.399 0.00 0.00 -0.383 OA ATOM 21 H LIG 1 -3.189 -3.862 0.227 0.00 0.00 +0.210 HD ENDBRANCH 2 20 BRANCH 1 22 ATOM 22 O LIG 1 -1.409 -2.559 -2.559 0.00 0.00 -0.372 OA ATOM 23 H LIG 1 -1.624 -3.425 -2.153 0.00 0.00 +0.212 HD ENDBRANCH 1 22 BRANCH 5 24 ATOM 24 C LIG 1 0.671 -0.482 -1.243 0.00 0.00 +0.264 C BRANCH 24 25 ATOM 25 O LIG 1 1.866 -0.618 -0.462 0.00 0.00 -0.489 OA BRANCH 25 26 ATOM 26 C LIG 1 2.938 0.152 -0.820 0.00 0.00 +0.123 A ATOM 27 C LIG 1 4.059 0.012 0.006 0.00 0.00 +0.074 A ATOM 28 C LIG 1 5.234 0.718 -0.216 0.00 0.00 +0.077 A ATOM 29 C LIG 1 5.279 1.600 -1.313 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.463 2.311 -1.532 0.00 0.00 +0.013 A ATOM 31 C LIG 1 7.542 2.127 -0.674 0.00 0.00 +0.044 A ATOM 32 C LIG 1 7.410 1.233 0.374 0.00 0.00 +0.117 A ATOM 33 C LIG 1 4.160 1.750 -2.148 0.00 0.00 +0.013 A ATOM 34 N LIG 1 6.283 0.542 0.611 0.00 0.00 -0.232 NA ATOM 35 C LIG 1 2.993 1.026 -1.901 0.00 0.00 +0.046 A BRANCH 32 36 ATOM 36 N LIG 1 8.460 1.032 1.267 0.00 0.00 -0.343 N ATOM 37 H LIG 1 9.309 0.761 0.786 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 8.152 0.313 1.919 0.00 0.00 +0.144 HD ENDBRANCH 32 36 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 9