REMARK Name = BDB003337 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.669 1.240 0.610 0.00 0.00 -0.283 N ATOM 2 C LIG 1 -0.347 0.765 0.417 0.00 0.00 +0.039 A ATOM 3 C LIG 1 0.757 1.637 0.400 0.00 0.00 -0.026 A ATOM 4 C LIG 1 2.066 1.140 0.246 0.00 0.00 +0.009 A ATOM 5 C LIG 1 2.329 -0.229 0.079 0.00 0.00 -0.035 A ATOM 6 C LIG 1 1.233 -1.112 0.050 0.00 0.00 +0.023 A ATOM 7 C LIG 1 0.578 3.120 0.579 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -0.835 3.535 0.221 0.00 0.00 +0.024 C ATOM 9 C LIG 1 -0.069 -0.602 0.248 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -1.824 2.658 0.974 0.00 0.00 +0.113 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.020 -1.140 -0.742 0.00 0.00 +0.128 A ATOM 12 N LIG 1 -2.912 -0.399 -0.556 0.00 0.00 -0.225 NA ATOM 13 C LIG 1 -2.879 0.503 0.464 0.00 0.00 +0.153 A ATOM 14 C LIG 1 -3.986 0.693 1.343 0.00 0.00 +0.111 A ATOM 15 C LIG 1 -5.129 -0.100 1.092 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -6.251 0.031 1.926 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -6.245 0.932 2.986 0.00 0.00 -0.032 A ATOM 18 C LIG 1 -5.085 1.656 3.182 0.00 0.00 +0.115 A ATOM 19 C LIG 1 -7.410 1.062 3.913 0.00 0.00 +0.045 C ATOM 20 N LIG 1 -3.990 1.557 2.396 0.00 0.00 -0.251 NA ATOM 21 C LIG 1 -5.149 -1.021 0.043 0.00 0.00 +0.043 A BRANCH 11 25 ATOM 22 C LIG 1 -5.076 -3.076 -3.814 0.00 0.00 +0.128 C ATOM 23 N LIG 1 -5.088 -2.238 -2.641 0.00 0.00 -0.313 N ATOM 24 H LIG 1 -5.744 -1.468 -2.623 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 -3.958 -2.152 -1.840 0.00 0.00 +0.262 C ATOM 26 O LIG 1 -2.959 -2.844 -2.001 0.00 0.00 -0.269 OA ENDBRANCH 11 25 ENDBRANCH 1 13 BRANCH 5 27 ATOM 27 C LIG 1 3.766 -0.712 -0.096 0.00 0.00 +0.022 C ATOM 28 C LIG 1 4.251 -0.435 -1.529 0.00 0.00 +0.027 C ATOM 29 C LIG 1 5.760 -0.609 -1.639 0.00 0.00 +0.108 C ATOM 30 N LIG 1 6.489 0.271 -0.725 0.00 0.00 -0.302 N ATOM 31 C LIG 1 7.817 0.634 -0.899 0.00 0.00 +0.212 C ATOM 32 O LIG 1 8.386 1.453 -0.176 0.00 0.00 -0.276 OA ATOM 33 C LIG 1 8.561 -0.017 -2.038 0.00 0.00 +0.109 C ATOM 34 C LIG 1 5.749 0.830 0.405 0.00 0.00 +0.108 C ATOM 35 C LIG 1 4.742 -0.166 0.972 0.00 0.00 +0.027 C ENDBRANCH 5 27 BRANCH 6 36 ATOM 36 C LIG 1 1.381 -2.600 -0.170 0.00 0.00 +0.372 C ATOM 37 F LIG 1 1.971 -3.224 0.890 0.00 0.00 -0.204 F ATOM 38 F LIG 1 2.154 -2.904 -1.254 0.00 0.00 -0.204 F ENDBRANCH 6 36 TORSDOF 4