REMARK Name = BDB010632 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.119 -0.423 -1.333 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.498 0.098 -0.213 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.914 1.404 -0.085 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -1.690 1.618 -1.216 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -2.266 2.788 -1.532 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -2.019 3.751 -0.636 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -1.295 3.643 0.498 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -0.736 2.452 0.808 0.00 0.00 +0.101 A ATOM 9 N LIG 1 -1.806 0.490 -1.971 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.603 5.080 -0.910 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -3.335 5.183 -2.051 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -3.746 6.478 -2.063 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -4.434 7.003 -2.918 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -3.233 7.055 -0.935 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -3.363 8.018 -0.657 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -2.508 6.169 -0.203 0.00 0.00 -0.127 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -0.014 2.386 2.069 0.00 0.00 +0.004 A ATOM 18 C LIG 1 1.238 3.004 2.207 0.00 0.00 +0.030 A ATOM 19 C LIG 1 1.929 2.934 3.416 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 3.478 3.671 3.556 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 1.380 2.267 4.509 0.00 0.00 +0.020 A ATOM 22 C LIG 1 0.126 1.670 4.395 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -0.568 1.734 3.184 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 -2.212 -2.551 -1.427 0.00 0.00 +0.190 C ATOM 25 N LIG 1 -0.969 -1.729 -1.695 0.00 0.00 -0.285 N ATOM 26 C LIG 1 -0.482 -1.900 -3.094 0.00 0.00 +0.137 C ATOM 27 C LIG 1 -1.629 -2.221 -4.061 0.00 0.00 +0.179 C ATOM 28 O LIG 1 -2.278 -3.466 -3.755 0.00 0.00 -0.376 OA ATOM 29 C LIG 1 -2.240 -3.791 -2.355 0.00 0.00 +0.192 C BRANCH 24 33 ATOM 30 C LIG 1 -3.567 -3.278 3.292 0.00 0.00 +0.091 C ATOM 31 C LIG 1 -2.861 -3.345 1.999 0.00 0.00 +0.169 A ATOM 32 N LIG 1 -3.254 -2.624 0.903 0.00 0.00 -0.195 NA ATOM 33 C LIG 1 -2.372 -2.991 -0.002 0.00 0.00 +0.250 A ATOM 34 O LIG 1 -1.449 -3.879 0.476 0.00 0.00 -0.336 OA ATOM 35 N LIG 1 -1.779 -4.112 1.812 0.00 0.00 -0.062 NA ENDBRANCH 24 33 ENDBRANCH 1 25 BRANCH 2 36 ATOM 36 C LIG 1 0.450 -0.629 0.614 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 1.831 -0.835 -0.036 0.00 0.00 +0.009 C ATOM 38 C LIG 1 2.655 -1.840 0.794 0.00 0.00 +0.005 C ATOM 39 C LIG 1 4.164 -1.591 0.755 0.00 0.00 +0.003 C ATOM 40 C LIG 1 4.661 -1.040 -0.584 0.00 0.00 -0.014 C ATOM 41 C LIG 1 4.577 -2.096 -1.690 0.00 0.00 +0.007 C ATOM 42 C LIG 1 3.919 0.251 -0.976 0.00 0.00 +0.003 C ATOM 43 C LIG 1 2.603 0.474 -0.224 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 2 36 TORSDOF 6