REMARK Name = LIG001999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.155 -1.956 3.607 0.00 0.00 +0.109 C ATOM 2 C LIG 1 2.616 -1.590 2.247 0.00 0.00 +0.213 C ATOM 3 N LIG 1 3.236 -0.568 1.538 0.00 0.00 -0.291 N ATOM 4 C LIG 1 4.402 0.240 2.020 0.00 0.00 +0.102 C ATOM 5 C LIG 1 4.561 1.606 1.306 0.00 0.00 +0.166 C ATOM 6 N LIG 1 3.264 2.100 0.898 0.00 0.00 -0.264 N ATOM 7 C LIG 1 2.295 1.280 0.400 0.00 0.00 +0.064 A ATOM 8 C LIG 1 1.214 2.097 0.140 0.00 0.00 +0.024 A ATOM 9 C LIG 1 1.673 3.394 0.490 0.00 0.00 +0.143 A ATOM 10 N LIG 1 2.928 3.395 0.955 0.00 0.00 -0.179 NA ATOM 11 C LIG 1 2.617 -0.162 0.271 0.00 0.00 +0.163 C ATOM 12 O LIG 1 1.654 -2.217 1.798 0.00 0.00 -0.276 OA ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -0.063 1.678 -0.400 0.00 0.00 -0.015 A ATOM 14 C LIG 1 -0.628 2.380 -1.474 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -1.863 1.992 -2.001 0.00 0.00 +0.013 A ATOM 16 C LIG 1 -2.549 0.910 -1.442 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -1.986 0.191 -0.383 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -0.752 0.584 0.143 0.00 0.00 +0.009 A BRANCH 16 19 ATOM 19 C LIG 1 -3.849 0.499 -2.032 0.00 0.00 +0.251 C ATOM 20 N LIG 1 -4.955 0.362 -1.173 0.00 0.00 -0.267 N ATOM 21 C LIG 1 -6.118 -0.419 -1.524 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -7.275 -0.376 -0.714 0.00 0.00 -0.026 A ATOM 23 C LIG 1 -8.391 -1.176 -1.025 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -8.382 -2.007 -2.140 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -7.253 -2.054 -2.946 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -7.354 0.484 0.518 0.00 0.00 +0.038 C ATOM 27 C LIG 1 -6.354 1.619 0.452 0.00 0.00 +0.024 C ATOM 28 C LIG 1 -6.134 -1.273 -2.637 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -4.985 1.053 0.124 0.00 0.00 +0.114 C ATOM 30 O LIG 1 -3.846 0.327 -3.249 0.00 0.00 -0.270 OA ENDBRANCH 16 19 ENDBRANCH 8 13 BRANCH 4 31 ATOM 31 C LIG 1 5.743 -0.534 2.025 0.00 0.00 +0.059 C BRANCH 31 32 ATOM 32 C LIG 1 6.236 -1.006 0.677 0.00 0.00 -0.046 A ATOM 33 C LIG 1 7.247 -0.307 0.001 0.00 0.00 +0.004 A ATOM 34 C LIG 1 7.695 -0.738 -1.248 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.144 -1.876 -1.833 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.148 -2.586 -1.167 0.00 0.00 +0.000 A ATOM 37 C LIG 1 5.700 -2.157 0.083 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 4 31 TORSDOF 4