REMARK Name = BDB061850 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.028 -0.048 -3.413 0.00 0.00 +0.140 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.331 -0.104 -2.646 0.00 0.00 -0.019 A ATOM 3 C LIG 1 -2.885 -1.319 -2.185 0.00 0.00 +0.060 A ATOM 4 C LIG 1 -4.093 -1.290 -1.461 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -4.744 -0.081 -1.171 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -4.167 1.116 -1.605 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -2.975 1.104 -2.332 0.00 0.00 +0.006 A BRANCH 3 8 ATOM 8 C LIG 1 -2.202 -2.643 -2.442 0.00 0.00 +0.418 C ATOM 9 F LIG 1 -2.813 -3.704 -1.845 0.00 0.00 -0.166 F ATOM 10 F LIG 1 -0.911 -2.666 -2.002 0.00 0.00 -0.166 F ATOM 11 F LIG 1 -2.149 -2.951 -3.769 0.00 0.00 -0.166 F ENDBRANCH 3 8 BRANCH 5 12 ATOM 12 C LIG 1 -6.030 -0.069 -0.383 0.00 0.00 +0.201 C BRANCH 12 13 ATOM 13 S LIG 1 -5.662 -0.098 1.363 0.00 0.00 -0.024 S ATOM 14 O LIG 1 -4.992 1.135 1.730 0.00 0.00 -0.174 OA ATOM 15 O LIG 1 -5.093 -1.391 1.694 0.00 0.00 -0.174 OA BRANCH 13 16 ATOM 16 C LIG 1 -7.240 -0.059 2.271 0.00 0.00 +0.131 C ATOM 17 C LIG 1 -8.052 1.189 2.037 0.00 0.00 +0.028 C ATOM 18 C LIG 1 -8.523 -0.132 1.492 0.00 0.00 +0.028 C ENDBRANCH 13 16 ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 1 2 BRANCH 1 20 ATOM 19 C LIG 1 0.787 1.027 -2.139 0.00 0.00 +0.244 C ATOM 20 N LIG 1 0.091 -0.104 -2.505 0.00 0.00 -0.307 N ATOM 21 H LIG 1 0.337 -1.004 -2.114 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 0.582 2.134 -2.624 0.00 0.00 -0.270 OA BRANCH 19 27 ATOM 23 N LIG 1 4.754 0.221 1.772 0.00 0.00 -0.346 N ATOM 24 C LIG 1 3.903 0.576 0.743 0.00 0.00 +0.049 A ATOM 25 C LIG 1 2.794 -0.271 0.825 0.00 0.00 +0.001 A ATOM 26 C LIG 1 1.752 -0.134 -0.116 0.00 0.00 +0.023 A ATOM 27 C LIG 1 1.856 0.842 -1.120 0.00 0.00 +0.037 A ATOM 28 C LIG 1 2.966 1.689 -1.168 0.00 0.00 +0.015 A ATOM 29 C LIG 1 2.998 -1.129 1.939 0.00 0.00 +0.027 A ATOM 30 C LIG 1 4.009 1.569 -0.243 0.00 0.00 +0.027 A ATOM 31 C LIG 1 4.207 -0.801 2.505 0.00 0.00 +0.087 A BRANCH 23 32 ATOM 32 C LIG 1 6.025 0.860 2.079 0.00 0.00 +0.124 C BRANCH 32 34 ATOM 33 C LIG 1 7.551 -1.057 1.394 0.00 0.00 +0.009 C ATOM 34 C LIG 1 7.182 0.411 1.170 0.00 0.00 +0.003 C ATOM 35 C LIG 1 8.405 1.296 1.416 0.00 0.00 +0.009 C ENDBRANCH 32 34 ENDBRANCH 23 32 ENDBRANCH 19 27 ENDBRANCH 1 20 TORSDOF 9